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

Systemtic Name: 3-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-1,2,3-benzotriazin-4-one Formula: C18H18N4O2 MolecularWeight: 322.36112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H18N4O2/c1-4-9-21-12(2)10-15(13(21)3)17(23)11-22-18(24)14-7-5-6-8-16(14)19-20-22/h4-8,10H,1,9,11H2,2-3H3