O1-ethyl O2-methyl 3-azanyl-4-[(3-chlorophenyl)methyl]pyrrole-1,2-dicarboxylate

Systemtic Name: O1-ethyl O2-methyl 3-azanyl-4-[(3-chlorophenyl)methyl]pyrrole-1,2-dicarboxylate Openeye Name: O1-ethyl O2-methyl 3-amino-4-[(3-chlorophenyl)methyl]pyrrole-1,2-dicarboxylate CAS Name: 3-amino-4-[(3-chlorophenyl)methyl]pyrrole-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester IUPAC Name: 1-O-ethyl 2-O-methyl 3-amino-4-[(3-chlorophenyl)methyl]pyrrole-1,2-dicarboxylate Traditional Name: 3-amino-4-(3-chlorobenzyl)pyrrole-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C(=C1C(=O)OC)N)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)N1C=C(C(=C1C(=O)OC)N)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H17ClN2O4/c1-3-23-16(21)19-9-11(13(18)14(19)15(20)22-2)7-10-5-4-6-12(17)8-10/h4-6,8-9H,3,7,18H2,1-2H3