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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C18H21BrN4O4/c1-18(2,3)27-17(26)21-9-11-4-6-12(7-5-11)15(24)22-23-16(25)14-8-13(19)10-20-14/h4-8,10,20H,9H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)