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

Systemtic Name: 2-[(3-aminocarbonyl-4-oxidanylidene-phthalazin-1-yl)methyl]benzoic acid Openeye Name: 2-[(3-carbamoyl-4-oxo-phthalazin-1-yl)methyl]benzoic acid CAS Name: 2-[(3-carbamoyl-4-oxo-1-phthalazinyl)methyl]benzoic acid IUPAC Name: 2-[(3-carbamoyl-4-oxophthalazin-1-yl)methyl]benzoic acid Traditional Name: 2-[(3-carbamoyl-4-keto-phthalazin-1-yl)methyl]benzoic acid Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NN(C(=O)C3=CC=CC=C32)C(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NN(C(=O)C3=CC=CC=C32)C(=O)N)C(=O)O

InChI

InChI=1S/C17H13N3O4/c18-17(24)20-15(21)13-8-4-3-7-12(13)14(19-20)9-10-5-1-2-6-11(10)16(22)23/h1-8H,9H2,(H2,18,24)(H,22,23)