Nitrocefin
CAS Registry Number®
41906-86-9
No image available.
CAS Name
NitrocefinMolecular Formula
C21H16N4O8S2Molecular Mass
516.50Cite this Page
Nitrocefin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=41906-86-9 (retrieved ) (CAS RN: 41906-86-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
167-169 °C (decomp)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H16N4O8S2/c26-16(9-14-2-1-7-34-14)22-17-19(27)23-18(21(28)29)12(10-35-20(17)23)4-3-11-5-6-13(24(30)31)8-15(11)25(32)33/h1-8,17,20H,9-10H2,(H,22,26)(H,28,29)/b4-3+/t17-,20-/m1/s1
InChIKey
InChIKey=LHNIIDJCEODSHA-OQRUQETBSA-N
SMILES
C(O)(=O)C=1N2[C@@]([C@H](NC(CC3=CC=CS3)=O)C2=O)(SCC1/C=C/C4=C(N(=O)=O)C=C(N(=O)=O)C=C4)[H]
Canonical SMILES
O=C(O)C1=C(C=CC2=CC=C(C=C2N(=O)=O)N(=O)=O)CSC3N1C(=O)C3NC(=O)CC=4SC=CC4
Other Names for this Substance
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(1E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thienylacetyl)amino]-, (6R,7R)-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thienylacetyl)amino]-, [6R-[3(E),6α,7β]]-
- (6R,7R)-3-[(1E)-2-(2,4-Dinitrophenyl)ethenyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Nitrocefin
