O4-methyl O2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl] ester IUPAC Name: 4-O-methyl 2-O-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(4-keto-1,2,3-benzotriazin-3-yl)methyl] ester O4-methyl ester Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5/c1-9-13(16(23)25-3)10(2)18-14(9)17(24)26-8-21-15(22)11-6-4-5-7-12(11)19-20-21/h4-7,18H,8H2,1-3H3