N-[(1R)-1-(4-bromophenyl)ethyl]-2-nitro-5-pyrrolidin-1-yl-aniline

Systemtic Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2-nitro-5-pyrrolidin-1-yl-aniline Openeye Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2-nitro-5-pyrrolidin-1-yl-aniline CAS Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2-nitro-5-(1-pyrrolidinyl)aniline IUPAC Name: N-[(1R)-1-(4-bromophenyl)ethyl]-2-nitro-5-pyrrolidin-1-ylaniline Traditional Name: [(1R)-1-(4-bromophenyl)ethyl]-(2-nitro-5-pyrrolidino-phenyl)amine Formula: C18H20BrN3O2 MolecularWeight: 390.2743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Br)NC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20BrN3O2/c1-13(14-4-6-15(19)7-5-14)20-17-12-16(21-10-2-3-11-21)8-9-18(17)22(23)24/h4-9,12-13,20H,2-3,10-11H2,1H3/t13-/m1/s1