[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1-methylhexylamino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(heptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(heptan-2-ylamino)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-2-(1-methylhexylamino)ethyl] ester Formula: C14H21BrN2O3 MolecularWeight: 345.23214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=CC(=CN1)Br

Isomeric SMILES

CCCCCC(C)NC(=O)COC(=O)C1=CC(=CN1)Br

InChI

InChI=1S/C14H21BrN2O3/c1-3-4-5-6-10(2)17-13(18)9-20-14(19)12-7-11(15)8-16-12/h7-8,10,16H,3-6,9H2,1-2H3,(H,17,18)