4-[4-(3,4-dinitrophenoxy)butyl]-1,2-dimethoxy-benzene; methanamine; hydrochloride

Systemtic Name: 4-[4-(3,4-dinitrophenoxy)butyl]-1,2-dimethoxy-benzene; methanamine; hydrochloride Openeye Name: 4-[4-(3,4-dinitrophenoxy)butyl]-1,2-dimethoxy-benzene; methanamine; hydrochloride CAS Name: 4-[4-(3,4-dinitrophenoxy)butyl]-1,2-dimethoxybenzene; methanamine; hydrochloride IUPAC Name: 4-[4-(3,4-dinitrophenoxy)butyl]-1,2-dimethoxybenzene; methanamine; hydrochloride Traditional Name: 4-[4-(3,4-dinitrophenoxy)butyl]-1,2-dimethoxy-benzene; methylamine; hydrochloride Formula: C19H26ClN3O7 MolecularWeight: 443.87864

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Descriptors Computed from Structure

Canonical SMILES:

CN.COC1=C(C=C(C=C1)CCCCOC2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC.Cl

Isomeric SMILES

CN.COC1=C(C=C(C=C1)CCCCOC2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC.Cl

InChI

InChI=1S/C18H20N2O7.CH5N.ClH/c1-25-17-9-6-13(11-18(17)26-2)5-3-4-10-27-14-7-8-15(19(21)22)16(12-14)20(23)24;1-2;/h6-9,11-12H,3-5,10H2,1-2H3;2H2,1H3;1H