N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylbutyl)-4-nitro-aniline

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylbutyl)-4-nitro-aniline Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholinobutyl)-4-nitro-aniline CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-morpholinyl)butyl]-4-nitroaniline IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylbutyl)-4-nitroaniline Traditional Name: 3-morpholinobutyl-(4-nitrophenyl)-veratryl-amine Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(CC1=CC(=C(C=C1)OC)OC)C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(CCN(CC1=CC(=C(C=C1)OC)OC)C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C23H31N3O5/c1-18(24-12-14-31-15-13-24)10-11-25(20-5-7-21(8-6-20)26(27)28)17-19-4-9-22(29-2)23(16-19)30-3/h4-9,16,18H,10-15,17H2,1-3H3