[(1R)-1-(3-nitrophenyl)ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-3-4-12-23-20(25)18-11-6-5-10-17(18)19(22-23)21(26)29-14(2)15-8-7-9-16(13-15)24(27)28/h5-11,13-14H,3-4,12H2,1-2H3/t14-/m1/s1