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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H18N4O6/c1-13-11-18(26)19(23-24(13)16-5-3-4-6-17(16)25(29)30)20(27)22-12-14-7-9-15(10-8-14)21(28)31-2/h3-11H,12H2,1-2H3,(H,22,27)