ethyl 4-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C=CC2=CC(=C(C=C2)OCC#N)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC)C

InChI

InChI=1S/C21H22N2O5/c1-5-27-21(25)20-13(2)19(14(3)23-20)16(24)8-6-15-7-9-17(28-11-10-22)18(12-15)26-4/h6-9,12,23H,5,11H2,1-4H3/b8-6+