4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylamino)butanoic acid

Systemtic Name: 4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylamino)butanoic acid Openeye Name: 4-(3-nitroanilino)-4-oxo-2-(2-pyridylmethylamino)butanoic acid CAS Name: 4-(3-nitroanilino)-4-oxo-2-(2-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(3-nitroanilino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid Traditional Name: 4-keto-4-(3-nitroanilino)-2-(2-pyridylmethylamino)butyric acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNC(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H16N4O5/c21-15(19-11-5-3-6-13(8-11)20(24)25)9-14(16(22)23)18-10-12-4-1-2-7-17-12/h1-8,14,18H,9-10H2,(H,19,21)(H,22,23)