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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-pyrrolidin-1-yl-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-pyrrolidin-1-yl-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(1-pyrrolidinyl)aniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-pyrrolidin-1-ylaniline Traditional Name: homoveratryl-(2-nitro-5-pyrrolidino-phenyl)amine Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N3O4/c1-26-19-8-5-15(13-20(19)27-2)9-10-21-17-14-16(22-11-3-4-12-22)6-7-18(17)23(24)25/h5-8,13-14,21H,3-4,9-12H2,1-2H3