4-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-5-(4-methylphenyl)carbonyl-pyrrole-3-carboxylic acid

Systemtic Name: 4-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-5-(4-methylphenyl)carbonyl-pyrrole-3-carboxylic acid Openeye Name: 4-bromo-2-(2-ethoxy-2-oxo-ethyl)-1-methyl-5-(4-methylbenzoyl)pyrrole-3-carboxylic acid CAS Name: 4-bromo-2-(2-ethoxy-2-oxoethyl)-1-methyl-5-[(4-methylphenyl)-oxomethyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-bromo-2-(2-ethoxy-2-oxoethyl)-1-methyl-5-(4-methylbenzoyl)pyrrole-3-carboxylic acid Traditional Name: 4-bromo-2-(2-ethoxy-2-keto-ethyl)-1-methyl-5-p-toluoyl-pyrrole-3-carboxylic acid Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=C(N1C)C(=O)C2=CC=C(C=C2)C)Br)C(=O)O

Isomeric SMILES

CCOC(=O)CC1=C(C(=C(N1C)C(=O)C2=CC=C(C=C2)C)Br)C(=O)O

InChI

InChI=1S/C18H18BrNO5/c1-4-25-13(21)9-12-14(18(23)24)15(19)16(20(12)3)17(22)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,23,24)