(2S)-2-azaniumyl-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-azaniumyl-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-azaniumyl-4-(4-nitroanilino)-4-oxo-butanoate CAS Name: (2S)-2-ammonio-4-(4-nitroanilino)-4-oxobutanoate IUPAC Name: (2S)-2-azaniumyl-4-(4-nitroanilino)-4-oxobutanoate Traditional Name: (2S)-2-ammonio-4-keto-4-(4-nitroanilino)butyrate Formula: C10H11N3O5 MolecularWeight: 253.21144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC(C(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C[C@@H](C(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O5/c11-8(10(15)16)5-9(14)12-6-1-3-7(4-2-6)13(17)18/h1-4,8H,5,11H2,(H,12,14)(H,15,16)/t8-/m0/s1