methyl 3-[(2-cyclohexylphenyl)methyl]imidazole-4-carboxylate nitrate

Systemtic Name: methyl 3-[(2-cyclohexylphenyl)methyl]imidazole-4-carboxylate nitrate Openeye Name: methyl 3-[(2-cyclohexylphenyl)methyl]imidazole-4-carboxylate nitrate CAS Name: 3-[(2-cyclohexylphenyl)methyl]-4-imidazolecarboxylic acid methyl ester nitrate IUPAC Name: methyl 3-[(2-cyclohexylphenyl)methyl]imidazole-4-carboxylate nitrate Traditional Name: 3-(2-cyclohexylbenzyl)imidazole-4-carboxylic acid methyl ester nitrate Formula: C18H22N3O5- MolecularWeight: 360.38438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=CN1CC2=CC=CC=C2C3CCCCC3.[N+](=O)([O-])[O-]

Isomeric SMILES

COC(=O)C1=CN=CN1CC2=CC=CC=C2C3CCCCC3.[N+](=O)([O-])[O-]

InChI

InChI=1S/C18H22N2O2.NO3/c1-22-18(21)17-11-19-13-20(17)12-15-9-5-6-10-16(15)14-7-3-2-4-8-14;2-1(3)4/h5-6,9-11,13-14H,2-4,7-8,12H2,1H3;/q;-1