4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid

Systemtic Name: 4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid Openeye Name: 4-(2-nitroanilino)-4-oxo-2-piperazin-1-yl-butanoic acid CAS Name: 4-(2-nitroanilino)-4-oxo-2-(1-piperazinyl)butanoic acid IUPAC Name: 4-(2-nitroanilino)-4-oxo-2-piperazin-1-ylbutanoic acid Traditional Name: 4-keto-4-(2-nitroanilino)-2-piperazino-butyric acid Formula: C14H18N4O5 MolecularWeight: 322.31652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CC(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CCN1)C(CC(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

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