2-(2H-benzotriazol-5-yl)-7-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindole-4-carboxylic acid

Systemtic Name: 2-(2H-benzotriazol-5-yl)-7-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindole-4-carboxylic acid Openeye Name: 2-(2H-benzotriazol-5-yl)-7-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-4-carboxylic acid CAS Name: 2-(2H-benzotriazol-5-yl)-7-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-4-carboxylic acid IUPAC Name: 2-(2H-benzotriazol-5-yl)-7-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-4-carboxylic acid Traditional Name: 2-(2H-benzotriazol-5-yl)-1,3-diketo-7-methyl-3a,4,7,7a-tetrahydroisoindole-4-carboxylic acid Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(C2C1C(=O)N(C2=O)C3=CC4=NNN=C4C=C3)C(=O)O

Isomeric SMILES

CC1C=CC(C2C1C(=O)N(C2=O)C3=CC4=NNN=C4C=C3)C(=O)O

InChI

InChI=1S/C16H14N4O4/c1-7-2-4-9(16(23)24)13-12(7)14(21)20(15(13)22)8-3-5-10-11(6-8)18-19-17-10/h2-7,9,12-13H,1H3,(H,23,24)(H,17,18,19)