ethyl 4-[(3,5-dinitrophenyl)carbonylamino]-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[(3,5-dinitrophenyl)carbonylamino]-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(3,5-dinitrobenzoyl)amino]-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dinitrobenzoyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(3,5-dinitrobenzoyl)amino]-6-keto-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H17N5O8 MolecularWeight: 467.38838

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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-])[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-])[N+](=O)[O-])C3=CC=CC=C3C

InChI

InChI=1S/C21H17N5O8/c1-3-34-21(29)19-16(11-18(27)24(23-19)17-7-5-4-6-12(17)2)22-20(28)13-8-14(25(30)31)10-15(9-13)26(32)33/h4-11H,3H2,1-2H3,(H,22,28)