[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)-6-keto-4,5-dihydropyridazine-3-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-13-7-8-14(2)18(11-13)24-20(27)10-9-16(23-24)21(28)31-12-19(26)22-15-5-3-4-6-17(15)25(29)30/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)