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

Systemtic Name: ethyl 3-[[6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carbonyl]amino]benzoate CAS Name: 3-[[[6-methyl-1-(2-nitrophenyl)-4-oxo-3-pyridazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carbonyl]amino]benzoate Traditional Name: 3-[[4-keto-6-methyl-1-(2-nitrophenyl)pyridazine-3-carbonyl]amino]benzoic acid ethyl ester Formula: C21H18N4O6 MolecularWeight: 422.39082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC(=CC=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)14-7-6-8-15(12-14)22-20(27)19-18(26)11-13(2)24(23-19)16-9-4-5-10-17(16)25(29)30/h4-12H,3H2,1-2H3,(H,22,27)