(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C21H20N4O4/c1-13-6-5-9-18(14(13)2)24-11-15(10-19(24)26)21(28)29-12-25-20(27)16-7-3-4-8-17(16)22-23-25/h3-9,15H,10-12H2,1-2H3