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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H22N4O3/c1-3-9-18-15(4-2)21(16-10-5-7-12-19(16)24-18)23(29)30-14-27-22(28)17-11-6-8-13-20(17)25-26-27/h5-8,10-13H,3-4,9,14H2,1-2H3