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

Systemtic Name: 4-cyano-3-(3-nitrophenyl)-4-phenyl-butanoate Openeye Name: 4-cyano-3-(3-nitrophenyl)-4-phenyl-butanoate CAS Name: 4-cyano-3-(3-nitrophenyl)-4-phenylbutanoate IUPAC Name: 4-cyano-3-(3-nitrophenyl)-4-phenylbutanoate Traditional Name: 4-cyano-3-(3-nitrophenyl)-4-phenyl-butyrate Formula: C17H13N2O4- MolecularWeight: 309.29612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4/c18-11-16(12-5-2-1-3-6-12)15(10-17(20)21)13-7-4-8-14(9-13)19(22)23/h1-9,15-16H,10H2,(H,20,21)/p-1