ethyl 4-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(5-chloro-2-nitro-benzoyl)amino]-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[[(5-chloro-2-nitrophenyl)-oxomethyl]amino]-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-2-nitrobenzoyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(5-chloro-2-nitro-benzoyl)amino]-6-keto-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H17ClN4O6 MolecularWeight: 456.83588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3C

InChI

InChI=1S/C21H17ClN4O6/c1-3-32-21(29)19-15(11-18(27)25(24-19)16-7-5-4-6-12(16)2)23-20(28)14-10-13(22)8-9-17(14)26(30)31/h4-11H,3H2,1-2H3,(H,23,28)