(3-nitrophenyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (3-nitrophenyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (3-nitrophenyl) 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (3-nitrophenyl) ester Formula: C21H13N3O5 MolecularWeight: 387.34502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O5/c25-20-18-12-5-4-11-17(18)19(22-23(20)14-7-2-1-3-8-14)21(26)29-16-10-6-9-15(13-16)24(27)28/h1-13H