(E)-3-[2,4-dinitro-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2,4-dinitro-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2,4-dinitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,4-dinitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,4-dinitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2,4-dinitro-phenyl]acrylic acid Formula: C12H8N2O8 MolecularWeight: 308.20052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O8/c15-11(16)3-1-7-5-8(2-4-12(17)18)10(14(21)22)6-9(7)13(19)20/h1-6H,(H,15,16)(H,17,18)/b3-1+,4-2+