N-[2-[4-(3,4-dimethoxyphenyl)butoxy]-5-nitro-phenyl]ethanamide; methanamine

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)butoxy]-5-nitro-phenyl]ethanamide; methanamine Openeye Name: N-[2-[4-(3,4-dimethoxyphenyl)butoxy]-5-nitro-phenyl]acetamide; methanamine CAS Name: N-[2-[4-(3,4-dimethoxyphenyl)butoxy]-5-nitrophenyl]acetamide; methanamine IUPAC Name: N-[2-[4-(3,4-dimethoxyphenyl)butoxy]-5-nitrophenyl]acetamide; methanamine Traditional Name: N-[2-[4-(3,4-dimethoxyphenyl)butoxy]-5-nitro-phenyl]acetamide; methylamine Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OCCCCC2=CC(=C(C=C2)OC)OC.CN

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OCCCCC2=CC(=C(C=C2)OC)OC.CN

InChI

InChI=1S/C20H24N2O6.CH5N/c1-14(23)21-17-13-16(22(24)25)8-10-18(17)28-11-5-4-6-15-7-9-19(26-2)20(12-15)27-3;1-2/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,23);2H2,1H3