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

Systemtic Name: [2-cyano-1-(3-methoxyphenyl)ethyl] 4-nitrobenzoate Openeye Name: [2-cyano-1-(3-methoxyphenyl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-cyano-1-(3-methoxyphenyl)ethyl] ester IUPAC Name: [2-cyano-1-(3-methoxyphenyl)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-cyano-1-(3-methoxyphenyl)ethyl] ester Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CC#N)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(CC#N)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5/c1-23-15-4-2-3-13(11-15)16(9-10-18)24-17(20)12-5-7-14(8-6-12)19(21)22/h2-8,11,16H,9H2,1H3