propyl 4-[[6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carbonyl]amino]benzoate CAS Name: 4-[[[6-methyl-1-(2-nitrophenyl)-4-oxo-3-pyridazinyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carbonyl]amino]benzoate Traditional Name: 4-[[4-keto-6-methyl-1-(2-nitrophenyl)pyridazine-3-carbonyl]amino]benzoic acid propyl ester Formula: C22H20N4O6 MolecularWeight: 436.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O6/c1-3-12-32-22(29)15-8-10-16(11-9-15)23-21(28)20-19(27)13-14(2)25(24-20)17-6-4-5-7-18(17)26(30)31/h4-11,13H,3,12H2,1-2H3,(H,23,28)