3-methyl-4-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[(1-benzyl-6-oxo-pyridazine-3-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]amino]benzoic acid IUPAC Name: 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(1-benzyl-6-keto-pyridazine-3-carbonyl)amino]-3-methyl-benzoic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4/c1-13-11-15(20(26)27)7-8-16(13)21-19(25)17-9-10-18(24)23(22-17)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,25)(H,26,27)