methyl 1-(aminocarbonylamino)-4-chloranyl-2-(chloromethyl)-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: methyl 1-(aminocarbonylamino)-4-chloranyl-2-(chloromethyl)-5-phenyl-pyrrole-3-carboxylate Openeye Name: methyl 4-chloro-2-(chloromethyl)-5-phenyl-1-ureido-pyrrole-3-carboxylate CAS Name: 1-(carbamoylamino)-4-chloro-2-(chloromethyl)-5-phenyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(carbamoylamino)-4-chloro-2-(chloromethyl)-5-phenylpyrrole-3-carboxylate Traditional Name: 4-chloro-2-(chloromethyl)-5-phenyl-1-ureido-pyrrole-3-carboxylic acid methyl ester Formula: C14H13Cl2N3O3 MolecularWeight: 342.17732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=C1Cl)C2=CC=CC=C2)NC(=O)N)CCl

Isomeric SMILES

COC(=O)C1=C(N(C(=C1Cl)C2=CC=CC=C2)NC(=O)N)CCl

InChI

InChI=1S/C14H13Cl2N3O3/c1-22-13(20)10-9(7-15)19(18-14(17)21)12(11(10)16)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,17,18,21)