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

Systemtic Name: 5-(4-chlorophenyl)carbonyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-4-methoxy-1-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxo-ethyl)-4-methoxy-1-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-2-(2-ethoxy-2-oxoethyl)-4-methoxy-1-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-4-methoxy-1-methylpyrrole-3-carboxylic acid Traditional Name: 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-keto-ethyl)-4-methoxy-1-methyl-pyrrole-3-carboxylic acid Formula: C18H18ClNO6 MolecularWeight: 379.79162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=C(N1C)C(=O)C2=CC=C(C=C2)Cl)OC)C(=O)O

Isomeric SMILES

CCOC(=O)CC1=C(C(=C(N1C)C(=O)C2=CC=C(C=C2)Cl)OC)C(=O)O

InChI

InChI=1S/C18H18ClNO6/c1-4-26-13(21)9-12-14(18(23)24)17(25-3)15(20(12)2)16(22)10-5-7-11(19)8-6-10/h5-8H,4,9H2,1-3H3,(H,23,24)