methyl 4-[2-[3-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(3,4-dimethylphenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(3,4-dimethylphenyl)-6-oxo-1-pyridazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(3,4-dimethylphenyl)-6-keto-pyridazin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H21N3O4/c1-14-4-5-17(12-15(14)2)19-10-11-21(27)25(24-19)13-20(26)23-18-8-6-16(7-9-18)22(28)29-3/h4-12H,13H2,1-3H3,(H,23,26)