2-[(1S,2R)-1-[(4-methoxyphenyl)amino]-2-nitro-butyl]benzenecarbonitrile

Systemtic Name: 2-[(1S,2R)-1-[(4-methoxyphenyl)amino]-2-nitro-butyl]benzenecarbonitrile Openeye Name: 2-[(1S,2R)-1-(4-methoxyanilino)-2-nitro-butyl]benzonitrile CAS Name: 2-[(1S,2R)-1-(4-methoxyanilino)-2-nitrobutyl]benzonitrile IUPAC Name: 2-[(1S,2R)-1-(4-methoxyanilino)-2-nitrobutyl]benzonitrile Traditional Name: 2-[(1S,2R)-2-nitro-1-(p-anisidino)butyl]benzonitrile Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1C#N)NC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]([C@H](C1=CC=CC=C1C#N)NC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3/c1-3-17(21(22)23)18(16-7-5-4-6-13(16)12-19)20-14-8-10-15(24-2)11-9-14/h4-11,17-18,20H,3H2,1-2H3/t17-,18+/m1/s1