[4-(cyanomethyl)phenyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 4-methoxy-3-nitro-benzoate Openeye Name: [4-(cyanomethyl)phenyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [4-(cyanomethyl)phenyl] ester Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5/c1-22-15-7-4-12(10-14(15)18(20)21)16(19)23-13-5-2-11(3-6-13)8-9-17/h2-7,10H,8H2,1H3