tert-butyl 2-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]pyrrole-1-carboxylate CAS Name: 2-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]pyrrole-1-carboxylate Traditional Name: 2-[(E)-3-keto-3-(p-tolyl)prop-1-enyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CC=CN2C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C19H21NO3/c1-14-7-9-15(10-8-14)17(21)12-11-16-6-5-13-20(16)18(22)23-19(2,3)4/h5-13H,1-4H3/b12-11+