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(2E)-6-azido-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-hexanoic acid

(2E)-6-azido-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-hexanoic acid

Systemtic Name:(2E)-6-azido-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-hexanoic acid
Openeye Name:(2E)-6-azido-2-[(4-nitrophenyl)methylene]-3-oxo-hexanoic acid
CAS Name:(2E)-6-azido-2-[(4-nitrophenyl)methylidene]-3-oxohexanoic acid
IUPAC Name:(2E)-6-azido-2-[(4-nitrophenyl)methylidene]-3-oxohexanoic acid
Traditional Name:(E)-2-(4-azidobutanoyl)-3-(4-nitrophenyl)acrylic acid
Formula: C13H12N4O5
MolecularWeight: 304.25818
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C(=O)CCCN=[N+]=[N-])C(=O)O)[N+](=O)[O-]


Isomeric SMILES

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


InChI

InChI=1S/C13H12N4O5/c14-16-15-7-1-2-12(18)11(13(19)20)8-9-3-5-10(6-4-9)17(21)22/h3-6,8H,1-2,7H2,(H,19,20)/b11-8+


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