(R)-miconazole nitrate

Properties Image MNX_ID MNXM149645 reference chebi:82886 formula C18H15Cl4N3O4 global charge 0 mol weight 479.147 InChIKey MCCACAIVAXEFAL-FERBBOLQSA-N InChI InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)/t18-;/m0./s1 SMILES ClC1=CC(Cl)=C(CO[C@@H](CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1.O=[N+]([O-])O MNX internals InChI (mnx) InChI=1/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)/t18-;/m0./s1 SMILES (mnx) [CH:1]1=[CH:2][C:13]([Cl:19])=[CH:7][C:16]([Cl:21])=[C:12]1[CH2:10][O:25][C@@H:18]([CH2:9][N:24]1[CH:6]=[CH:5][N:23]=[CH:11]1)[C:15]1=[C:17]([Cl:22])[CH:8]=[C:14]([Cl:20])[CH:3]=[CH:4]1.[N+:26]([OH:27])([O-:28])=[O:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0