3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]-1,2,3-benzotriazin-4-one Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H18N4O2/c1-14-12-18(15(2)25(14)16-8-4-3-5-9-16)20(26)13-24-21(27)17-10-6-7-11-19(17)22-23-24/h3-12H,13H2,1-2H3