[(1R)-1-(3-nitrophenyl)ethyl] 3-cyanobenzoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-cyanobenzoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4/c1-11(13-5-3-7-15(9-13)18(20)21)22-16(19)14-6-2-4-12(8-14)10-17/h2-9,11H,1H3/t11-/m1/s1