methyl 3-[[1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]benzoate CAS Name: 3-[[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]benzoate Traditional Name: 3-[[1-(2,5-dimethylphenyl)-6-keto-4,5-dihydropyridazine-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4/c1-13-7-8-14(2)18(11-13)24-19(25)10-9-17(23-24)20(26)22-16-6-4-5-15(12-16)21(27)28-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,26)