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

Systemtic Name: ethyl 4-[[6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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