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

Systemtic Name: 4-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=C(C=CC(=C2)Br)OC)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=C(C=CC(=C2)Br)OC)C)C(=O)O

InChI

InChI=1S/C17H16BrNO4/c1-9-15(10(2)19-16(9)17(21)22)13(20)6-4-11-8-12(18)5-7-14(11)23-3/h4-8,19H,1-3H3,(H,21,22)/b6-4+