ethyl (2R,3R)-2-[(4-methoxyphenyl)amino]-3-nitro-octanoate

Systemtic Name: ethyl (2R,3R)-2-[(4-methoxyphenyl)amino]-3-nitro-octanoate Openeye Name: ethyl (2R,3R)-2-(4-methoxyanilino)-3-nitro-octanoate CAS Name: (2R,3R)-2-(4-methoxyanilino)-3-nitrooctanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-(4-methoxyanilino)-3-nitrooctanoate Traditional Name: (2R,3R)-3-nitro-2-(p-anisidino)caprylic acid ethyl ester Formula: C17H26N2O5 MolecularWeight: 338.39874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)OCC)NC1=CC=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC[C@H]([C@H](C(=O)OCC)NC1=CC=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H26N2O5/c1-4-6-7-8-15(19(21)22)16(17(20)24-5-2)18-13-9-11-14(23-3)12-10-13/h9-12,15-16,18H,4-8H2,1-3H3/t15-,16-/m1/s1