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

Systemtic Name: (4-nitrophenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (4-nitrophenyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (4-nitrophenyl) ester Formula: C22H15N3O5 MolecularWeight: 401.3716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O5/c26-21-19-9-5-4-8-18(19)20(23-24(21)14-15-6-2-1-3-7-15)22(27)30-17-12-10-16(11-13-17)25(28)29/h1-13H,14H2