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

Systemtic Name: ethyl 3-(2-chloroethylcarbamoylamino)-5-phenyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-(2-chloroethylcarbamoylamino)-5-phenyl-1H-pyrrole-2-carboxylate CAS Name: 3-[[(2-chloroethylamino)-oxomethyl]amino]-5-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-chloroethylcarbamoylamino)-5-phenyl-1H-pyrrole-2-carboxylate Traditional Name: 3-(2-chloroethylcarbamoylamino)-5-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3/c1-2-23-15(21)14-13(20-16(22)18-9-8-17)10-12(19-14)11-6-4-3-5-7-11/h3-7,10,19H,2,8-9H2,1H3,(H2,18,20,22)