tert-butyl N-[4-[[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]carbamate CAS Name: N-[4-[[[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]phenyl]carbamate Traditional Name: N-[4-[[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C18H21BrN4O4 MolecularWeight: 437.28774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2C)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2C)Br

InChI

InChI=1S/C18H21BrN4O4/c1-18(2,3)27-17(26)20-13-7-5-11(6-8-13)15(24)21-22-16(25)14-9-12(19)10-23(14)4/h5-10H,1-4H3,(H,20,26)(H,21,24)(H,22,25)