[(Z)-4-chloranyl-4-(2-methanoyl-4,5-dimethyl-1H-pyrrol-3-yl)but-3-enyl] ethanoate

Systemtic Name: [(Z)-4-chloranyl-4-(2-methanoyl-4,5-dimethyl-1H-pyrrol-3-yl)but-3-enyl] ethanoate Openeye Name: [(Z)-4-chloro-4-(2-formyl-4,5-dimethyl-1H-pyrrol-3-yl)but-3-enyl] acetate CAS Name: acetic acid [(Z)-4-chloro-4-(2-formyl-4,5-dimethyl-1H-pyrrol-3-yl)but-3-enyl] ester IUPAC Name: [(Z)-4-chloro-4-(2-formyl-4,5-dimethyl-1H-pyrrol-3-yl)but-3-enyl] acetate Traditional Name: acetic acid [(Z)-4-chloro-4-(2-formyl-4,5-dimethyl-1H-pyrrol-3-yl)but-3-enyl] ester Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=CCCOC(=O)C)Cl)C=O)C

Isomeric SMILES

CC1=C(NC(=C1/C(=C/CCOC(=O)C)/Cl)C=O)C

InChI

InChI=1S/C13H16ClNO3/c1-8-9(2)15-12(7-16)13(8)11(14)5-4-6-18-10(3)17/h5,7,15H,4,6H2,1-3H3/b11-5-