2-methyl-3-[3-(2H-1,2,3,4-tetrazol-5-yl)propyl]naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-[3-(2H-1,2,3,4-tetrazol-5-yl)propyl]naphthalene-1,4-dione Openeye Name: 2-methyl-3-[3-(2H-tetrazol-5-yl)propyl]naphthalene-1,4-dione CAS Name: 2-methyl-3-[3-(2H-tetrazol-5-yl)propyl]naphthalene-1,4-dione IUPAC Name: 2-methyl-3-[3-(2H-tetrazol-5-yl)propyl]naphthalene-1,4-dione Traditional Name: 2-methyl-3-[3-(2H-tetrazol-5-yl)propyl]-1,4-naphthoquinone Formula: C15H14N4O2 MolecularWeight: 282.29726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)CCCC3=NNN=N3

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)CCCC3=NNN=N3

InChI

InChI=1S/C15H14N4O2/c1-9-10(7-4-8-13-16-18-19-17-13)15(21)12-6-3-2-5-11(12)14(9)20/h2-3,5-6H,4,7-8H2,1H3,(H,16,17,18,19)