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

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 4-(4-methyl-2-nitro-anilino)-4-oxo-2-(3-pyridylmethylamino)butanoic acid CAS Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 4-keto-4-(4-methyl-2-nitro-anilino)-2-(3-pyridylmethylamino)butyric acid Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5/c1-11-4-5-13(15(7-11)21(25)26)20-16(22)8-14(17(23)24)19-10-12-3-2-6-18-9-12/h2-7,9,14,19H,8,10H2,1H3,(H,20,22)(H,23,24)