(2-cyanophenyl)methyl 4-methoxy-3-nitro-benzoate

Systemtic Name: (2-cyanophenyl)methyl 4-methoxy-3-nitro-benzoate Openeye Name: (2-cyanophenyl)methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (2-cyanobenzyl) ester Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

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