(S)-isoconazole nitrate

Properties Image MNX_ID MNXM149772 reference chebi:83671 formula C18H15Cl4N3O4 global charge 0 mol weight 479.147 InChIKey NNGQLSIGRSTLLU-GMUIIQOCSA-N InChI InChI=1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)/t18-;/m1./s1 SMILES ClC1=CC(Cl)=C([C@@H](CN2C=CN=C2)OCC2=C(Cl)C=CC=C2Cl)C=C1.O=[N+]([O-])O MNX internals InChI (mnx) InChI=1/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)/t18-;/m1./s1 SMILES (mnx) [CH:1]1=[CH:2][C:15]([Cl:20])=[C:14]([CH2:10][O:25][C@H:18]([CH2:9][N:24]2[CH:7]=[CH:6][N:23]=[CH:11]2)[C:13]2=[C:17]([Cl:22])[CH:8]=[C:12]([Cl:19])[CH:4]=[CH:5]2)[C:16]([Cl:21])=[CH:3]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