4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylamino)butanoic acid

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylamino)butanoic acid Openeye Name: 4-(2-methoxy-5-nitro-anilino)-4-oxo-2-(2-pyridylmethylamino)butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(2-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid Traditional Name: 4-keto-4-(2-methoxy-5-nitro-anilino)-2-(2-pyridylmethylamino)butyric acid Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCC2=CC=CC=N2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCC2=CC=CC=N2

InChI

InChI=1S/C17H18N4O6/c1-27-15-6-5-12(21(25)26)8-13(15)20-16(22)9-14(17(23)24)19-10-11-4-2-3-7-18-11/h2-8,14,19H,9-10H2,1H3,(H,20,22)(H,23,24)