ethyl 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-(4-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-(4-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-(4-methoxyphenyl)-1-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]pyrazole-4-carboxylate CAS Name: 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-(4-methoxyphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-(4-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 5-(4-methoxyphenyl)-1-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C(=CC=C)C=CC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)/C(=C/C=C)/C=C\C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H22N2O3/c1-5-8-16(9-6-2)22-19(15-10-12-17(24-4)13-11-15)18(14-21-22)20(23)25-7-3/h5-6,8-14H,1,7H2,2-4H3/b9-6-,16-8+