4-[(E)-3-[2,4-dimethoxy-5-(2H-1,2,3,4-tetrazol-5-yl)phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-[2,4-dimethoxy-5-(2H-1,2,3,4-tetrazol-5-yl)phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[2,4-dimethoxy-5-(2H-tetrazol-5-yl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-[2,4-dimethoxy-5-(2H-tetrazol-5-yl)phenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[2,4-dimethoxy-5-(2H-tetrazol-5-yl)phenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[2,4-dimethoxy-5-(2H-tetrazol-5-yl)phenyl]acryloyl]benzoic acid Formula: C19H16N4O5 MolecularWeight: 380.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=NNN=N2)C=CC(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=NNN=N2)/C=C/C(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C19H16N4O5/c1-27-16-10-17(28-2)14(18-20-22-23-21-18)9-13(16)7-8-15(24)11-3-5-12(6-4-11)19(25)26/h3-10H,1-2H3,(H,25,26)(H,20,21,22,23)/b8-7+