[4-(cyclohexylcarbamoyl)-1H-imidazol-5-yl]azanium; ethanol; 2,4,6-trinitrophenolate

Systemtic Name: [4-(cyclohexylcarbamoyl)-1H-imidazol-5-yl]azanium; ethanol; 2,4,6-trinitrophenolate Openeye Name: [4-(cyclohexylcarbamoyl)-1H-imidazol-5-yl]ammonium; ethanol; 2,4,6-trinitrophenolate CAS Name: [4-[(cyclohexylamino)-oxomethyl]-1H-imidazol-5-yl]ammonium; ethanol; 2,4,6-trinitrophenolate IUPAC Name: [4-(cyclohexylcarbamoyl)-1H-imidazol-5-yl]azanium; ethanol; 2,4,6-trinitrophenolate Traditional Name: [4-(cyclohexylcarbamoyl)-1H-imidazol-5-yl]ammonium; ethanol; picrate Formula: C18H25N7O9 MolecularWeight: 483.4326

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1CCC(CC1)NC(=O)C2=C(NC=N2)[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCO.C1CCC(CC1)NC(=O)C2=C(NC=N2)[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H16N4O.C6H3N3O7.C2H6O/c11-9-8(12-6-13-9)10(15)14-7-4-2-1-3-5-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-2-3/h6-7H,1-5,11H2,(H,12,13)(H,14,15);1-2,10H;3H,2H2,1H3