tert-butyl N-[3-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C17H19BrN4O4 MolecularWeight: 423.26116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C17H19BrN4O4/c1-17(2,3)26-16(25)20-12-6-4-5-10(7-12)14(23)21-22-15(24)13-8-11(18)9-19-13/h4-9,19H,1-3H3,(H,20,25)(H,21,23)(H,22,24)