(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C13H9BrN4O3 MolecularWeight: 349.13956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CN3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C13H9BrN4O3/c14-8-5-11(15-6-8)13(20)21-7-18-12(19)9-3-1-2-4-10(9)16-17-18/h1-6,15H,7H2