3-methyl-4-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]benzoic acid Openeye Name: 4-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]benzoic acid Traditional Name: 4-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]-3-methyl-benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

InChI=1S/C20H19N3O4/c1-11(2)23-19(25)15-7-5-4-6-14(15)17(22-23)18(24)21-16-9-8-13(20(26)27)10-12(16)3/h4-11H,1-3H3,(H,21,24)(H,26,27)