(phenylmethyl) 4-[(E)-1-chloranyl-3-oxidanylidene-prop-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-[(E)-1-chloranyl-3-oxidanylidene-prop-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-[(E)-1-chloro-3-oxo-prop-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-1-chloro-3-oxoprop-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(E)-1-chloro-3-oxoprop-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-1-chloro-3-keto-prop-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C17H16ClNO3 MolecularWeight: 317.76684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=CC=O)Cl)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1/C(=C\C=O)/Cl)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16ClNO3/c1-11-15(14(18)8-9-20)12(2)19-16(11)17(21)22-10-13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3/b14-8+