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

Systemtic Name: ethyl (2R,3R)-2-[(4-methoxyphenyl)amino]-3-nitro-pentanoate Openeye Name: ethyl (2R,3R)-2-(4-methoxyanilino)-3-nitro-pentanoate CAS Name: (2R,3R)-2-(4-methoxyanilino)-3-nitropentanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-(4-methoxyanilino)-3-nitropentanoate Traditional Name: (2R,3R)-3-nitro-2-(p-anisidino)valeric acid ethyl ester Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5/c1-4-12(16(18)19)13(14(17)21-5-2)15-10-6-8-11(20-3)9-7-10/h6-9,12-13,15H,4-5H2,1-3H3/t12-,13-/m1/s1