1-(3,5-dinitrophenyl)-2-phenyl-ethane-1,2-dione; (E)-3-phenylprop-2-enoate

Systemtic Name: 1-(3,5-dinitrophenyl)-2-phenyl-ethane-1,2-dione; (E)-3-phenylprop-2-enoate Openeye Name: 1-(3,5-dinitrophenyl)-2-phenyl-ethane-1,2-dione; (E)-3-phenylprop-2-enoate CAS Name: 1-(3,5-dinitrophenyl)-2-phenylethane-1,2-dione; (E)-3-phenyl-2-propenoate IUPAC Name: 1-(3,5-dinitrophenyl)-2-phenylethane-1,2-dione; (E)-3-phenylprop-2-enoate Traditional Name: 1-(3,5-dinitrophenyl)-2-phenyl-ethane-1,2-dione; (E)-3-phenylacrylate Formula: C23H15N2O8- MolecularWeight: 447.3738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8N2O6.C9H8O2/c17-13(9-4-2-1-3-5-9)14(18)10-6-11(15(19)20)8-12(7-10)16(21)22;10-9(11)7-6-8-4-2-1-3-5-8/h1-8H;1-7H,(H,10,11)/p-1/b;7-6+