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

Systemtic Name: 4-chloranyl-3-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]benzoic acid Openeye Name: 4-chloro-3-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]benzoic acid CAS Name: 4-chloro-3-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]benzoic acid Traditional Name: 4-chloro-3-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]benzoic acid Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C19H16ClN3O4/c1-10(2)23-18(25)13-6-4-3-5-12(13)16(22-23)17(24)21-15-9-11(19(26)27)7-8-14(15)20/h3-10H,1-2H3,(H,21,24)(H,26,27)