(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H18N4O3/c1-3-16-13(2)19(14-8-4-6-10-17(14)22-16)21(27)28-12-25-20(26)15-9-5-7-11-18(15)23-24-25/h4-11H,3,12H2,1-2H3