(2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-hexanoic acid

Systemtic Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-hexanoic acid Openeye Name: (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-hexanoic acid CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxohexanoic acid IUPAC Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxohexanoic acid Traditional Name: (E)-2-butyryl-3-(3-nitrophenyl)acrylic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-2-4-12(15)11(13(16)17)8-9-5-3-6-10(7-9)14(18)19/h3,5-8H,2,4H2,1H3,(H,16,17)/b11-8+