methyl 4-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]benzoate CAS Name: 4-[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]benzoate Traditional Name: 4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]benzoic acid methyl ester Formula: C14H12BrN3O4 MolecularWeight: 366.16678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C14H12BrN3O4/c1-22-14(21)9-4-2-8(3-5-9)12(19)17-18-13(20)11-6-10(15)7-16-11/h2-7,16H,1H3,(H,17,19)(H,18,20)