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

Systemtic Name: ethyl 4-[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O5/c1-4-26-20(25)17-11(3)23-10(2)16(17)18(24)13(8-22)5-12-6-14(21)19-15(7-12)27-9-28-19/h5-7,23H,4,9H2,1-3H3/b13-5+