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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-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-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C15H12N4O4 MolecularWeight: 312.28018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H12N4O4/c1-9(20)10-6-13(16-7-10)15(22)23-8-19-14(21)11-4-2-3-5-12(11)17-18-19/h2-7,16H,8H2,1H3