N-[(1S,2R)-2-nitro-1-phenyl-butyl]aniline

Systemtic Name: N-[(1S,2R)-2-nitro-1-phenyl-butyl]aniline Openeye Name: N-[(1S,2R)-2-nitro-1-phenyl-butyl]aniline CAS Name: N-[(1S,2R)-2-nitro-1-phenylbutyl]aniline IUPAC Name: N-[(1S,2R)-2-nitro-1-phenylbutyl]aniline Traditional Name: [(1S,2R)-2-nitro-1-phenyl-butyl]-phenyl-amine Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-2-15(18(19)20)16(13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12,15-17H,2H2,1H3/t15-,16+/m1/s1