(3-nitrophenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-nitrophenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-nitrophenyl) 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (3-nitrophenyl) ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-12(2)11-21-18(23)16-9-4-3-8-15(16)17(20-21)19(24)27-14-7-5-6-13(10-14)22(25)26/h3-10,12H,11H2,1-2H3