ethyl 3-(2-chloroethylcarbamoylamino)-5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-(2-chloroethylcarbamoylamino)-5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-(2-chloroethylcarbamoylamino)-5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate CAS Name: 3-[[(2-chloroethylamino)-oxomethyl]amino]-5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-chloroethylcarbamoylamino)-5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-(2-chloroethylcarbamoylamino)-5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(N1)C2=CC=C(C=C2)OC)NC(=O)NCCCl

Isomeric SMILES

CCOC(=O)C1=C(C=C(N1)C2=CC=C(C=C2)OC)NC(=O)NCCCl

InChI

InChI=1S/C17H20ClN3O4/c1-3-25-16(22)15-14(21-17(23)19-9-8-18)10-13(20-15)11-4-6-12(24-2)7-5-11/h4-7,10,20H,3,8-9H2,1-2H3,(H2,19,21,23)