[1-(3-chlorophenyl)-2-cyano-ethyl] 4-nitrobenzoate

Systemtic Name: [1-(3-chlorophenyl)-2-cyano-ethyl] 4-nitrobenzoate Openeye Name: [1-(3-chlorophenyl)-2-cyano-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(3-chlorophenyl)-2-cyanoethyl] ester IUPAC Name: [1-(3-chlorophenyl)-2-cyanoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(3-chlorophenyl)-2-cyano-ethyl] ester Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O4/c17-13-3-1-2-12(10-13)15(8-9-18)23-16(20)11-4-6-14(7-5-11)19(21)22/h1-7,10,15H,8H2