4-[(E)-3-(3-bromophenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: 4-[(E)-3-(3-bromophenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 4-[(E)-3-(3-bromophenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(E)-3-(3-bromophenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(3-bromophenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Formula: C16H13BrNO3- MolecularWeight: 347.18332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=CC(=CC=C2)Br)C)C(=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=CC(=CC=C2)Br)C)C(=O)[O-]

InChI

InChI=1S/C16H14BrNO3/c1-9-14(10(2)18-15(9)16(20)21)13(19)7-6-11-4-3-5-12(17)8-11/h3-8,18H,1-2H3,(H,20,21)/p-1/b7-6+