diethyl (2S,3R)-3-[(4-methoxyphenyl)amino]-2-methyl-2-nitro-butanedioate

Systemtic Name: diethyl (2S,3R)-3-[(4-methoxyphenyl)amino]-2-methyl-2-nitro-butanedioate Openeye Name: diethyl (2S,3R)-3-(4-methoxyanilino)-2-methyl-2-nitro-butanedioate CAS Name: (2S,3R)-3-(4-methoxyanilino)-2-methyl-2-nitrobutanedioic acid diethyl ester IUPAC Name: diethyl (2S,3R)-3-(4-methoxyanilino)-2-methyl-2-nitrobutanedioate Traditional Name: (2S,3R)-2-methyl-2-nitro-3-(p-anisidino)succinic acid diethyl ester Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O7/c1-5-24-14(19)13(16(3,18(21)22)15(20)25-6-2)17-11-7-9-12(23-4)10-8-11/h7-10,13,17H,5-6H2,1-4H3/t13-,16-/m0/s1