azanium (2S)-2-azanyl-5-[(3-carboxy-4-nitro-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: azanium (2S)-2-azanyl-5-[(3-carboxy-4-nitro-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: ammonium (2S)-2-amino-5-(3-carboxy-4-nitro-anilino)-5-oxo-pentanoate CAS Name: ammonium (2S)-2-amino-5-(3-carboxy-4-nitroanilino)-5-oxopentanoate IUPAC Name: azanium (2S)-2-amino-5-(3-carboxy-4-nitroanilino)-5-oxopentanoate Traditional Name: ammonium (2S)-2-amino-5-(3-carboxy-4-nitro-anilino)-5-keto-valerate Formula: C12H16N4O7 MolecularWeight: 328.27804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCC(C(=O)[O-])N)C(=O)O)[N+](=O)[O-].[NH4+]

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CC[C@@H](C(=O)[O-])N)C(=O)O)[N+](=O)[O-].[NH4+]

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