[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C21H17ClN4O6 MolecularWeight: 456.83588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN4O6/c1-12-3-6-15(10-17(12)26(30)31)23-19(28)11-32-21(29)20-18(27)9-13(2)25(24-20)16-7-4-14(22)5-8-16/h3-10H,11H2,1-2H3,(H,23,28)