N-[(1S,2R)-1-cyclohexyl-2-nitro-butyl]-4-methoxy-aniline

Systemtic Name: N-[(1S,2R)-1-cyclohexyl-2-nitro-butyl]-4-methoxy-aniline Openeye Name: N-[(1S,2R)-1-cyclohexyl-2-nitro-butyl]-4-methoxy-aniline CAS Name: N-[(1S,2R)-1-cyclohexyl-2-nitrobutyl]-4-methoxyaniline IUPAC Name: N-[(1S,2R)-1-cyclohexyl-2-nitrobutyl]-4-methoxyaniline Traditional Name: [(1S,2R)-1-cyclohexyl-2-nitro-butyl]-(4-methoxyphenyl)amine Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1CCCCC1)NC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]([C@H](C1CCCCC1)NC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H26N2O3/c1-3-16(19(20)21)17(13-7-5-4-6-8-13)18-14-9-11-15(22-2)12-10-14/h9-13,16-18H,3-8H2,1-2H3/t16-,17+/m1/s1