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

Systemtic Name: 3-methyl-4-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoic acid Traditional Name: 4-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-3-methyl-benzoic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4/c1-10-9-11(18(24)25)7-8-14(10)19-16(22)15-12-5-3-4-6-13(12)17(23)21(2)20-15/h3-9H,1-2H3,(H,19,22)(H,24,25)