[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2-tert-butylanilino)-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(2-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-tert-butylanilino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(2-tert-butylanilino)-2-keto-ethyl] ester Formula: C17H19ClN2O3 MolecularWeight: 334.79736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C17H19ClN2O3/c1-17(2,3)12-6-4-5-7-13(12)20-15(21)10-23-16(22)14-8-11(18)9-19-14/h4-9,19H,10H2,1-3H3,(H,20,21)