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

Systemtic Name: (3-nitrophenyl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (3-nitrophenyl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (3-nitrobenzyl) ester Formula: C22H15N3O5 MolecularWeight: 401.3716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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