4-[2-[2-(3,4-dimethoxyphenyl)ethyl-propyl-amino]ethyl]-2-nitro-aniline

Systemtic Name: 4-[2-[2-(3,4-dimethoxyphenyl)ethyl-propyl-amino]ethyl]-2-nitro-aniline Openeye Name: 4-[2-[2-(3,4-dimethoxyphenyl)ethyl-propyl-amino]ethyl]-2-nitro-aniline CAS Name: 4-[2-[2-(3,4-dimethoxyphenyl)ethyl-propylamino]ethyl]-2-nitroaniline IUPAC Name: 4-[2-[2-(3,4-dimethoxyphenyl)ethyl-propylamino]ethyl]-2-nitroaniline Traditional Name: 2-(4-amino-3-nitro-phenyl)ethyl-homoveratryl-propyl-amine Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=CC(=C(C=C1)N)[N+](=O)[O-])CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCN(CCC1=CC(=C(C=C1)N)[N+](=O)[O-])CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H29N3O4/c1-4-11-23(12-9-16-5-7-18(22)19(14-16)24(25)26)13-10-17-6-8-20(27-2)21(15-17)28-3/h5-8,14-15H,4,9-13,22H2,1-3H3