3-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]benzoate

Systemtic Name: 3-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]benzoate Openeye Name: 3-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]benzoate IUPAC Name: 3-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]benzoate Traditional Name: 3-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]benzoate Formula: C23H16N3O4- MolecularWeight: 398.39084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C23H17N3O4/c27-21(24-17-10-6-9-16(13-17)23(29)30)20-18-11-4-5-12-19(18)22(28)26(25-20)14-15-7-2-1-3-8-15/h1-13H,14H2,(H,24,27)(H,29,30)/p-1