(2E)-4,4-dimethoxy-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-4,4-dimethoxy-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-4,4-dimethoxy-2-[(3-nitrophenyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-4,4-dimethoxy-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-4,4-dimethoxy-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-(2,2-dimethoxyacetyl)-3-(3-nitrophenyl)acrylic acid Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO7/c1-20-13(21-2)11(15)10(12(16)17)7-8-4-3-5-9(6-8)14(18)19/h3-7,13H,1-2H3,(H,16,17)/b10-7+