3-(3,4-dimethoxyphenyl)-4-nitro-2-(phenylmethyl)butanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-nitro-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-3-(3,4-dimethoxyphenyl)-4-nitro-butanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)-4-nitro-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoic acid Traditional Name: 2-benzyl-3-(3,4-dimethoxyphenyl)-4-nitro-butyric acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C(CC2=CC=CC=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C[N+](=O)[O-])C(CC2=CC=CC=C2)C(=O)O)OC

InChI

InChI=1S/C19H21NO6/c1-25-17-9-8-14(11-18(17)26-2)16(12-20(23)24)15(19(21)22)10-13-6-4-3-5-7-13/h3-9,11,15-16H,10,12H2,1-2H3,(H,21,22)