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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N3O4/c1-21-17(23)14-5-3-2-4-13(14)15(20-21)16(22)19-10-11-6-8-12(9-7-11)18(24)25/h2-9H,10H2,1H3,(H,19,22)(H,24,25)