1-(2-ethylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]butan-1-one nitrate

Systemtic Name: 1-(2-ethylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]butan-1-one nitrate Openeye Name: 1-(2-ethylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]butan-1-one nitrate CAS Name: 1-(2-ethylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]-1-butanone nitrate IUPAC Name: 1-(2-ethylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]butan-1-one nitrate Traditional Name: 1-(2-ethylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]butan-1-one nitrate Formula: C24H30N3O6- MolecularWeight: 456.5115

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)CCCNC2CCC(CC2)C3=CC=C(C=C3)[N+](=O)[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CCC1=CC=CC=C1C(=O)CCCNC2CCC(CC2)C3=CC=C(C=C3)[N+](=O)[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C24H30N2O3.NO3/c1-2-18-6-3-4-7-23(18)24(27)8-5-17-25-21-13-9-19(10-14-21)20-11-15-22(16-12-20)26(28)29;2-1(3)4/h3-4,6-7,11-12,15-16,19,21,25H,2,5,8-10,13-14,17H2,1H3;/q;-1