3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl]-1,2,3-benzotriazin-4-one Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H19N3O2/c1-3-13(2)14-8-10-15(11-9-14)18(23)12-22-19(24)16-6-4-5-7-17(16)20-21-22/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1