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

Systemtic Name: ethyl 4-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(2-chloro-5-nitro-benzoyl)amino]-6-oxo-1-(p-tolyl)pyridazine-3-carboxylate CAS Name: 4-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-1-(4-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-5-nitrobenzoyl)amino]-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(2-chloro-5-nitro-benzoyl)amino]-6-keto-1-(p-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)[N+](=O)[O-])Cl)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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