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

Systemtic Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-4-propanoyloxy-butanoic acid Openeye Name: (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-4-propanoyloxy-butanoic acid CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxo-4-(1-oxopropoxy)butanoic acid IUPAC Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxo-4-propanoyloxybutanoic acid Traditional Name: (E)-3-(3-nitrophenyl)-2-(2-propionyloxyacetyl)acrylic acid Formula: C14H13NO7 MolecularWeight: 307.25552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(=O)OCC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C14H13NO7/c1-2-13(17)22-8-12(16)11(14(18)19)7-9-4-3-5-10(6-9)15(20)21/h3-7H,2,8H2,1H3,(H,18,19)/b11-7+