N-[(4-tert-butylphenyl)methyl]-2-nitro-5-pyrrolidin-1-yl-aniline

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-2-nitro-5-pyrrolidin-1-yl-aniline Openeye Name: N-[(4-tert-butylphenyl)methyl]-2-nitro-5-pyrrolidin-1-yl-aniline CAS Name: N-[(4-tert-butylphenyl)methyl]-2-nitro-5-(1-pyrrolidinyl)aniline IUPAC Name: N-[(4-tert-butylphenyl)methyl]-2-nitro-5-pyrrolidin-1-ylaniline Traditional Name: (4-tert-butylbenzyl)-(2-nitro-5-pyrrolidino-phenyl)amine Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O2/c1-21(2,3)17-8-6-16(7-9-17)15-22-19-14-18(23-12-4-5-13-23)10-11-20(19)24(25)26/h6-11,14,22H,4-5,12-13,15H2,1-3H3