(E)-3-[2,4-dinitro-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2,4-dinitro-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoate Openeye Name: (E)-3-[2,4-dinitro-5-[(E)-3-oxido-3-oxo-prop-1-enyl]phenyl]prop-2-enoate CAS Name: (E)-3-[2,4-dinitro-5-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[2,4-dinitro-5-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[5-[(E)-3-keto-3-oxido-prop-1-enyl]-2,4-dinitro-phenyl]acrylate Formula: C12H6N2O8-2 MolecularWeight: 306.18464

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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)/p-2/b3-1+,4-2+