ethyl 3,5-dimethyl-4-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[(E)-3-(3-pyridyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(E)-3-pyridin-3-ylprop-2-enoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(E)-3-(3-pyridyl)acryloyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C=CC2=CN=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=CN=CC=C2)C

InChI

InChI=1S/C17H18N2O3/c1-4-22-17(21)16-11(2)15(12(3)19-16)14(20)8-7-13-6-5-9-18-10-13/h5-10,19H,4H2,1-3H3/b8-7+