(2S)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate

Systemtic Name: (2S)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate Openeye Name: (2S)-4-(3-nitroanilino)-4-oxo-2-piperazin-1-ium-1-yl-butanoate CAS Name: (2S)-4-(3-nitroanilino)-4-oxo-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2S)-4-(3-nitroanilino)-4-oxo-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2S)-4-keto-4-(3-nitroanilino)-2-piperazin-1-ium-1-yl-butyrate Formula: C14H18N4O5 MolecularWeight: 322.31652

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)C(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCN1)[C@@H](CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H18N4O5/c19-13(16-10-2-1-3-11(8-10)18(22)23)9-12(14(20)21)17-6-4-15-5-7-17/h1-3,8,12,15H,4-7,9H2,(H,16,19)(H,20,21)/t12-/m0/s1