Benzoic acid, 5-[(4-amino-4-carboxy-1-oxobutyl)amino]-2-nitro-, monoammonium salt, (S)-
CAS Registry Number®
63699-78-5
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CAS Name
Benzoic acid, 5-[(4-amino-4-carboxy-1-oxobutyl)amino]-2-nitro-, monoammonium salt, (S)-Molecular Formula
C12H13N3O7.H3NCite this Page
Benzoic acid, 5-[(4-amino-4-carboxy-1-oxobutyl)amino]-2-nitro-, monoammonium salt, (S)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=63699-78-5 (retrieved ) (CAS RN: 63699-78-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C12H13N3O7.H3N/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18;/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20);1H3/t8-;/m0./s1
InChIKey
InChIKey=GFABNNMTRVBLPZ-QRPNPIFTSA-N
SMILES
C(O)(=O)C1=C(N(=O)=O)C=CC(NC(CC[C@@H](C(O)=O)N)=O)=C1.N
Canonical SMILES
O=C(O)C1=CC(=CC=C1N(=O)=O)NC(=O)CCC(N)C(=O)O.N
Other Names for this Substance
- Benzoic acid, 5-[(4-amino-4-carboxy-1-oxobutyl)amino]-2-nitro-, monoammonium salt, (S)-
