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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-2-3-12-21-18(23)16-7-5-4-6-15(16)17(20-21)19(24)27-14-10-8-13(9-11-14)22(25)26/h4-11H,2-3,12H2,1H3