N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-homoveratryl-4-morpholino-3-nitro-benzamide Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O6/c1-28-19-6-3-15(13-20(19)29-2)7-8-22-21(25)16-4-5-17(18(14-16)24(26)27)23-9-11-30-12-10-23/h3-6,13-14H,7-12H2,1-2H3,(H,22,25)