tert-butyl 4-(3-chlorophenyl)-3-ethyl-5-methanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-(3-chlorophenyl)-3-ethyl-5-methanoyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-(3-chlorophenyl)-3-ethyl-5-formyl-1H-pyrrole-2-carboxylate CAS Name: 4-(3-chlorophenyl)-3-ethyl-5-formyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chlorophenyl)-3-ethyl-5-formyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-chlorophenyl)-3-ethyl-5-formyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C2=CC(=CC=C2)Cl)C=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C2=CC(=CC=C2)Cl)C=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H20ClNO3/c1-5-13-15(11-7-6-8-12(19)9-11)14(10-21)20-16(13)17(22)23-18(2,3)4/h6-10,20H,5H2,1-4H3