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

Systemtic Name: ethyl 4-[(3,5-dinitrophenyl)carbonylamino]-6-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(3,5-dinitrobenzoyl)amino]-6-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 4-[[(3,5-dinitrophenyl)-oxomethyl]amino]-6-oxo-1-phenyl-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dinitrobenzoyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-[(3,5-dinitrobenzoyl)amino]-6-keto-1-phenyl-pyridazine-3-carboxylic acid ethyl ester Formula: C20H15N5O8 MolecularWeight: 453.3618

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O8/c1-2-33-20(28)18-16(11-17(26)23(22-18)13-6-4-3-5-7-13)21-19(27)12-8-14(24(29)30)10-15(9-12)25(31)32/h3-11H,2H2,1H3,(H,21,27)