[2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1,2-diphenylethylamino)-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(1,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(1,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CN3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CN3)Cl

InChI

InChI=1S/C21H19ClN2O3/c22-17-12-19(23-13-17)21(26)27-14-20(25)24-18(16-9-5-2-6-10-16)11-15-7-3-1-4-8-15/h1-10,12-13,18,23H,11,14H2,(H,24,25)