(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-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-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H16N4O4/c1-9-14(11(3)22)10(2)18-15(9)17(24)25-8-21-16(23)12-6-4-5-7-13(12)19-20-21/h4-7,18H,8H2,1-3H3