[1-cyano-2-(3-nitrophenyl)ethyl] benzoate

Systemtic Name: [1-cyano-2-(3-nitrophenyl)ethyl] benzoate Openeye Name: [1-cyano-2-(3-nitrophenyl)ethyl] benzoate CAS Name: benzoic acid [1-cyano-2-(3-nitrophenyl)ethyl] ester IUPAC Name: [1-cyano-2-(3-nitrophenyl)ethyl] benzoate Traditional Name: benzoic acid [1-cyano-2-(3-nitrophenyl)ethyl] ester Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(CC2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(CC2=CC(=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H12N2O4/c17-11-15(22-16(19)13-6-2-1-3-7-13)10-12-5-4-8-14(9-12)18(20)21/h1-9,15H,10H2