methyl 3-[(E)-2-cyanoethenyl]-4-nitro-benzoate

Systemtic Name: methyl 3-[(E)-2-cyanoethenyl]-4-nitro-benzoate Openeye Name: methyl 3-[(E)-2-cyanovinyl]-4-nitro-benzoate CAS Name: 3-[(E)-2-cyanoethenyl]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(E)-2-cyanoethenyl]-4-nitrobenzoate Traditional Name: 3-[(E)-2-cyanovinyl]-4-nitro-benzoic acid methyl ester Formula: C11H8N2O4 MolecularWeight: 232.19222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])/C=C/C#N

InChI

InChI=1S/C11H8N2O4/c1-17-11(14)9-4-5-10(13(15)16)8(7-9)3-2-6-12/h2-5,7H,1H3/b3-2+