2-(benzotriazol-1-yl)-4-methyl-1-(2-methylfuran-3-yl)pent-3-en-1-one

Systemtic Name: 2-(benzotriazol-1-yl)-4-methyl-1-(2-methylfuran-3-yl)pent-3-en-1-one Openeye Name: 2-(benzotriazol-1-yl)-4-methyl-1-(2-methyl-3-furyl)pent-3-en-1-one CAS Name: 2-(1-benzotriazolyl)-4-methyl-1-(2-methyl-3-furanyl)-3-penten-1-one IUPAC Name: 2-(benzotriazol-1-yl)-4-methyl-1-(2-methylfuran-3-yl)pent-3-en-1-one Traditional Name: 2-(benzotriazol-1-yl)-4-methyl-1-(2-methyl-3-furyl)pent-3-en-1-one Formula: C17H17N3O2 MolecularWeight: 295.33578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C(C=C(C)C)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=C(C=CO1)C(=O)C(C=C(C)C)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H17N3O2/c1-11(2)10-16(17(21)13-8-9-22-12(13)3)20-15-7-5-4-6-14(15)18-19-20/h4-10,16H,1-3H3