4-[4-(2-chloranyl-4-nitro-phenoxy)butyl]-1,2-dimethoxy-benzene; methanamine

Systemtic Name: 4-[4-(2-chloranyl-4-nitro-phenoxy)butyl]-1,2-dimethoxy-benzene; methanamine Openeye Name: 4-[4-(2-chloro-4-nitro-phenoxy)butyl]-1,2-dimethoxy-benzene; methanamine CAS Name: 4-[4-(2-chloro-4-nitrophenoxy)butyl]-1,2-dimethoxybenzene; methanamine IUPAC Name: 4-[4-(2-chloro-4-nitrophenoxy)butyl]-1,2-dimethoxybenzene; methanamine Traditional Name: 4-[4-(2-chloro-4-nitro-phenoxy)butyl]-1,2-dimethoxy-benzene; methylamine Formula: C19H25ClN2O5 MolecularWeight: 396.8652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO5.CH5N/c1-23-17-8-6-13(11-18(17)24-2)5-3-4-10-25-16-9-7-14(20(21)22)12-15(16)19;1-2/h6-9,11-12H,3-5,10H2,1-2H3;2H2,1H3