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

Systemtic Name: N-[(1S,2R)-1-(4-chlorophenyl)-2-nitro-butyl]-4-methoxy-aniline Openeye Name: N-[(1S,2R)-1-(4-chlorophenyl)-2-nitro-butyl]-4-methoxy-aniline CAS Name: N-[(1S,2R)-1-(4-chlorophenyl)-2-nitrobutyl]-4-methoxyaniline IUPAC Name: N-[(1S,2R)-1-(4-chlorophenyl)-2-nitrobutyl]-4-methoxyaniline Traditional Name: [(1S,2R)-1-(4-chlorophenyl)-2-nitro-butyl]-(4-methoxyphenyl)amine Formula: C17H19ClN2O3 MolecularWeight: 334.79736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O3/c1-3-16(20(21)22)17(12-4-6-13(18)7-5-12)19-14-8-10-15(23-2)11-9-14/h4-11,16-17,19H,3H2,1-2H3/t16-,17+/m1/s1