[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H21BrN2O3 MolecularWeight: 357.24284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C15H21BrN2O3/c1-10(21-15(20)13-8-11(16)9-17-13)14(19)18-12-6-4-2-3-5-7-12/h8-10,12,17H,2-7H2,1H3,(H,18,19)