4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 4-(2-methoxy-5-nitro-anilino)-4-oxo-2-(3-pyridylmethylamino)butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 4-keto-4-(2-methoxy-5-nitro-anilino)-2-(3-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=CN=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCC2=CN=CC=C2

InChI

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