N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-methyl-3-nitro-phenyl)methyl]ethanamide hydrate

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-methyl-3-nitro-phenyl)methyl]ethanamide hydrate Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-methyl-3-nitro-phenyl)methyl]acetamide hydrate CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-methyl-3-nitrophenyl)methyl]acetamide hydrate IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-methyl-3-nitrophenyl)methyl]acetamide hydrate Traditional Name: N-homoveratryl-N-(4-methyl-3-nitro-benzyl)acetamide hydrate Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)C)[N+](=O)[O-].O

Isomeric SMILES

CC1=C(C=C(C=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)C)[N+](=O)[O-].O

InChI

InChI=1S/C20H24N2O5.H2O/c1-14-5-6-17(11-18(14)22(24)25)13-21(15(2)23)10-9-16-7-8-19(26-3)20(12-16)27-4;/h5-8,11-12H,9-10,13H2,1-4H3;1H2