methyl (2S,3S)-3-(3,4-dimethoxyphenyl)-2-ethanoyl-4-nitro-butanoate

Systemtic Name: methyl (2S,3S)-3-(3,4-dimethoxyphenyl)-2-ethanoyl-4-nitro-butanoate Openeye Name: methyl (2S,3S)-2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitro-butanoate CAS Name: (2S,3S)-2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate Traditional Name: (2S,3S)-2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitro-butyric acid methyl ester Formula: C15H19NO7 MolecularWeight: 325.31386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO7/c1-9(17)14(15(18)23-4)11(8-16(19)20)10-5-6-12(21-2)13(7-10)22-3/h5-7,11,14H,8H2,1-4H3/t11-,14-/m1/s1