4-[(E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: 4-[(E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 4-[(E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Formula: C17H15BrNO5- MolecularWeight: 393.2087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=CC(=C(C=C2Br)OC)O)C)C(=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=CC(=C(C=C2Br)OC)O)C)C(=O)[O-]

InChI

InChI=1S/C17H16BrNO5/c1-8-15(9(2)19-16(8)17(22)23)12(20)5-4-10-6-13(21)14(24-3)7-11(10)18/h4-7,19,21H,1-3H3,(H,22,23)/p-1/b5-4+