4-[(E)-1-cyano-2-(4-methoxy-3-nitro-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-1-cyano-2-(4-methoxy-3-nitro-phenyl)ethenyl]benzoic acid Openeye Name: 4-[(E)-1-cyano-2-(4-methoxy-3-nitro-phenyl)vinyl]benzoic acid CAS Name: 4-[(E)-1-cyano-2-(4-methoxy-3-nitrophenyl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-1-cyano-2-(4-methoxy-3-nitrophenyl)ethenyl]benzoic acid Traditional Name: 4-[(E)-1-cyano-2-(4-methoxy-3-nitro-phenyl)vinyl]benzoic acid Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O5/c1-24-16-7-2-11(9-15(16)19(22)23)8-14(10-18)12-3-5-13(6-4-12)17(20)21/h2-9H,1H3,(H,20,21)/b14-8-