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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxyphenyl)-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 (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC(CC2=O)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H18N4O5/c1-28-17-9-5-4-8-16(17)23-11-13(10-18(23)25)20(27)29-12-24-19(26)14-6-2-3-7-15(14)21-22-24/h2-9,13H,10-12H2,1H3/t13-/m0/s1