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

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

Systemtic Name:(2E)-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-hexanoic acid
Openeye Name:(2E)-2-[(4-nitrophenyl)methylene]-3-oxo-hexanoic acid
CAS Name:(2E)-2-[(4-nitrophenyl)methylidene]-3-oxohexanoic acid
IUPAC Name:(2E)-2-[(4-nitrophenyl)methylidene]-3-oxohexanoic acid
Traditional Name:(E)-2-butyryl-3-(4-nitrophenyl)acrylic acid
Formula: C13H13NO5
MolecularWeight: 263.24602
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H13NO5/c1-2-3-12(15)11(13(16)17)8-9-4-6-10(7-5-9)14(18)19/h4-8H,2-3H2,1H3,(H,16,17)/b11-8+


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