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

Systemtic Name: 2-(dimethylamino)-4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(dimethylamino)-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(dimethylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(dimethylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(dimethylamino)-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)C(=O)O

Isomeric SMILES

CN(C)C(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)C(=O)O

InChI

InChI=1S/C13H17N3O6/c1-15(2)10(13(18)19)7-12(17)14-9-6-8(16(20)21)4-5-11(9)22-3/h4-6,10H,7H2,1-3H3,(H,14,17)(H,18,19)