4-chloranyl-2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]benzoic acid Openeye Name: 4-chloro-2-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]benzoic acid CAS Name: 4-chloro-2-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]benzoic acid Traditional Name: 4-chloro-2-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]benzoic acid Formula: C22H14ClN3O4 MolecularWeight: 419.81726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C22H14ClN3O4/c23-13-10-11-17(22(29)30)18(12-13)24-20(27)19-15-8-4-5-9-16(15)21(28)26(25-19)14-6-2-1-3-7-14/h1-12H,(H,24,27)(H,29,30)