ethyl 1-(2-methylphenyl)-4-[(3-nitrophenyl)carbonylamino]-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(2-methylphenyl)-4-[(3-nitrophenyl)carbonylamino]-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(3-nitrobenzoyl)amino]-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(2-methylphenyl)-4-[[(3-nitrophenyl)-oxomethyl]amino]-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylphenyl)-4-[(3-nitrobenzoyl)amino]-6-oxopyridazine-3-carboxylate Traditional Name: 6-keto-4-[(3-nitrobenzoyl)amino]-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O6/c1-3-31-21(28)19-16(22-20(27)14-8-6-9-15(11-14)25(29)30)12-18(26)24(23-19)17-10-5-4-7-13(17)2/h4-12H,3H2,1-2H3,(H,22,27)