methyl 4-chloranyl-3-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]benzoic acid methyl ester Formula: C23H16ClN3O4 MolecularWeight: 433.84384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H16ClN3O4/c1-31-23(30)14-11-12-18(24)19(13-14)25-21(28)20-16-9-5-6-10-17(16)22(29)27(26-20)15-7-3-2-4-8-15/h2-13H,1H3,(H,25,28)