N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-piperidin-1-yl-aniline

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-piperidin-1-yl-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(1-piperidyl)aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(1-piperidinyl)aniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-piperidin-1-ylaniline Traditional Name: homoveratryl-(2-nitro-5-piperidino-phenyl)amine Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H27N3O4/c1-27-20-9-6-16(14-21(20)28-2)10-11-22-18-15-17(7-8-19(18)24(25)26)23-12-4-3-5-13-23/h6-9,14-15,22H,3-5,10-13H2,1-2H3