[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C12H17ClN2O3 MolecularWeight: 272.72798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC(=CN1)Cl

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC(=CN1)Cl

InChI

InChI=1S/C12H17ClN2O3/c1-8(2)3-4-14-11(16)7-18-12(17)10-5-9(13)6-15-10/h5-6,8,15H,3-4,7H2,1-2H3,(H,14,16)