N-[2-(4-tert-butylphenoxy)ethyl]-2-nitro-5-pyrrolidin-1-yl-aniline

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-nitro-5-pyrrolidin-1-yl-aniline Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-nitro-5-pyrrolidin-1-yl-aniline CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-nitro-5-(1-pyrrolidinyl)aniline IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-nitro-5-pyrrolidin-1-ylaniline Traditional Name: 2-(4-tert-butylphenoxy)ethyl-(2-nitro-5-pyrrolidino-phenyl)amine Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O3/c1-22(2,3)17-6-9-19(10-7-17)28-15-12-23-20-16-18(24-13-4-5-14-24)8-11-21(20)25(26)27/h6-11,16,23H,4-5,12-15H2,1-3H3