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

Systemtic Name: ethyl 4-[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3)C

InChI

InChI=1S/C19H18ClNO5/c1-4-24-19(23)17-10(2)16(11(3)21-17)14(22)6-5-12-7-13(20)18-15(8-12)25-9-26-18/h5-8,21H,4,9H2,1-3H3/b6-5+