ethyl 5-[(E)-3-(1,3-benzodioxol-4-yl)-2-cyano-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-3-(1,3-benzodioxol-4-yl)-2-cyano-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-3-(1,3-benzodioxol-4-yl)-2-cyano-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-3-(1,3-benzodioxol-4-yl)-2-cyano-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-3-(1,3-benzodioxol-4-yl)-2-cyanoprop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-3-(1,3-benzodioxol-4-yl)-2-cyano-acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=C3C(=CC=C2)OCO3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=C3C(=CC=C2)OCO3)/C#N)C

InChI

InChI=1S/C20H18N2O5/c1-4-25-20(24)16-11(2)17(22-12(16)3)18(23)14(9-21)8-13-6-5-7-15-19(13)27-10-26-15/h5-8,22H,4,10H2,1-3H3/b14-8+