(2E)-7-azido-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-heptanoic acid

Systemtic Name: (2E)-7-azido-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-heptanoic acid Openeye Name: (2E)-7-azido-2-[(4-nitrophenyl)methylene]-3-oxo-heptanoic acid CAS Name: (2E)-7-azido-2-[(4-nitrophenyl)methylidene]-3-oxoheptanoic acid IUPAC Name: (2E)-7-azido-2-[(4-nitrophenyl)methylidene]-3-oxoheptanoic acid Traditional Name: (E)-2-(5-azidopentanoyl)-3-(4-nitrophenyl)acrylic acid Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O5/c15-17-16-8-2-1-3-13(19)12(14(20)21)9-10-4-6-11(7-5-10)18(22)23/h4-7,9H,1-3,8H2,(H,20,21)/b12-9+