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

Systemtic Name: 2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]benzoic acid Openeye Name: 2-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]benzoic acid CAS Name: 2-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]benzoic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC=CC=C3C(=O)O

InChI

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