(2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(3-nitroanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(3-nitroanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-keto-4-(3-nitroanilino)-2-piperidin-1-ium-1-yl-butyrate Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H19N3O5/c19-14(16-11-5-4-6-12(9-11)18(22)23)10-13(15(20)21)17-7-2-1-3-8-17/h4-6,9,13H,1-3,7-8,10H2,(H,16,19)(H,20,21)/t13-/m1/s1