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

Systemtic Name: (2E)-2-[(3-nitrophenyl)-phenyl-methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(3-nitrophenyl)-phenyl-methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(3-nitrophenyl)-phenylmethylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(3-nitrophenyl)-phenylmethylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)-3-phenyl-acrylic acid Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(C1=CC=CC=C1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)/C(=C(/C1=CC=CC=C1)\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C17H13NO5/c1-11(19)15(17(20)21)16(12-6-3-2-4-7-12)13-8-5-9-14(10-13)18(22)23/h2-10H,1H3,(H,20,21)/b16-15+