O1-tert-butyl O4-ethyl (2S,3R)-3-[(4-methoxyphenyl)amino]-2-methyl-2-nitro-butanedioate

Systemtic Name: O1-tert-butyl O4-ethyl (2S,3R)-3-[(4-methoxyphenyl)amino]-2-methyl-2-nitro-butanedioate Openeye Name: O1-tert-butyl O4-ethyl (2S,3R)-3-(4-methoxyanilino)-2-methyl-2-nitro-butanedioate CAS Name: (2S,3R)-3-(4-methoxyanilino)-2-methyl-2-nitrobutanedioic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl (2S,3R)-3-(4-methoxyanilino)-2-methyl-2-nitrobutanedioate Traditional Name: (2S,3R)-2-methyl-2-nitro-3-(p-anisidino)succinic acid O1-tert-butyl ester O4-ethyl ester Formula: C18H26N2O7 MolecularWeight: 382.40824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O7/c1-7-26-15(21)14(19-12-8-10-13(25-6)11-9-12)18(5,20(23)24)16(22)27-17(2,3)4/h8-11,14,19H,7H2,1-6H3/t14-,18-/m0/s1