2-(1H-imidazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one nitrate

Systemtic Name: 2-(1H-imidazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one nitrate Openeye Name: 2-(1H-imidazol-5-yl)-1-tetralin-1-yl-propan-1-one nitrate CAS Name: 2-(1H-imidazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-propanone nitrate IUPAC Name: 2-(1H-imidazol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one nitrate Traditional Name: 2-(1H-imidazol-5-yl)-1-tetralin-1-yl-propan-1-one nitrate Formula: C16H18N3O4- MolecularWeight: 316.33182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CN1)C(=O)C2CCCC3=CC=CC=C23.[N+](=O)([O-])[O-]

Isomeric SMILES

CC(C1=CN=CN1)C(=O)C2CCCC3=CC=CC=C23.[N+](=O)([O-])[O-]

InChI

InChI=1S/C16H18N2O.NO3/c1-11(15-9-17-10-18-15)16(19)14-8-4-6-12-5-2-3-7-13(12)14;2-1(3)4/h2-3,5,7,9-11,14H,4,6,8H2,1H3,(H,17,18);/q;-1