(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-nitro-1-phenyl-butan-1-amine

Systemtic Name: (1S,2R)-N-[(4-methoxyphenyl)methyl]-2-nitro-1-phenyl-butan-1-amine Openeye Name: (1S,2R)-N-[(4-methoxyphenyl)methyl]-2-nitro-1-phenyl-butan-1-amine CAS Name: (1S,2R)-N-[(4-methoxyphenyl)methyl]-2-nitro-1-phenyl-1-butanamine IUPAC Name: (1S,2R)-N-[(4-methoxyphenyl)methyl]-2-nitro-1-phenylbutan-1-amine Traditional Name: [(1S,2R)-2-nitro-1-phenyl-butyl]-p-anisyl-amine Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]([C@H](C1=CC=CC=C1)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O3/c1-3-17(20(21)22)18(15-7-5-4-6-8-15)19-13-14-9-11-16(23-2)12-10-14/h4-12,17-19H,3,13H2,1-2H3/t17-,18+/m1/s1