methyl 4-cyano-3-(4-nitrophenyl)-4-phenyl-butanoate

Systemtic Name: methyl 4-cyano-3-(4-nitrophenyl)-4-phenyl-butanoate Openeye Name: methyl 4-cyano-3-(4-nitrophenyl)-4-phenyl-butanoate CAS Name: 4-cyano-3-(4-nitrophenyl)-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 4-cyano-3-(4-nitrophenyl)-4-phenylbutanoate Traditional Name: 4-cyano-3-(4-nitrophenyl)-4-phenyl-butyric acid methyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C(C#N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C18H16N2O4/c1-24-18(21)11-16(14-7-9-15(10-8-14)20(22)23)17(12-19)13-5-3-2-4-6-13/h2-10,16-17H,11H2,1H3