[3-cyano-3-(3-nitrophenyl)propyl] 3-oxidanylidenebutanoate

Systemtic Name: [3-cyano-3-(3-nitrophenyl)propyl] 3-oxidanylidenebutanoate Openeye Name: [3-cyano-3-(3-nitrophenyl)propyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [3-cyano-3-(3-nitrophenyl)propyl] ester IUPAC Name: [3-cyano-3-(3-nitrophenyl)propyl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [3-cyano-3-(3-nitrophenyl)propyl] ester Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCC(C#N)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(=O)OCCC(C#N)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O5/c1-10(17)7-14(18)21-6-5-12(9-15)11-3-2-4-13(8-11)16(19)20/h2-4,8,12H,5-7H2,1H3