ethyl 5-[(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CC3=C(C(=C2)OC)OCO3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CC3=C(C(=C2)OC)OCO3)/C#N)C

InChI

InChI=1S/C21H20N2O6/c1-5-27-21(25)17-11(2)18(23-12(17)3)19(24)14(9-22)6-13-7-15(26-4)20-16(8-13)28-10-29-20/h6-8,23H,5,10H2,1-4H3/b14-6+