ethyl (3E,5E)-3-nitro-6-(2-nitrophenyl)-2-oxidanyl-hexa-3,5-dienoate

Systemtic Name: ethyl (3E,5E)-3-nitro-6-(2-nitrophenyl)-2-oxidanyl-hexa-3,5-dienoate Openeye Name: ethyl (3E,5E)-2-hydroxy-3-nitro-6-(2-nitrophenyl)hexa-3,5-dienoate CAS Name: (3E,5E)-2-hydroxy-3-nitro-6-(2-nitrophenyl)hexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5E)-2-hydroxy-3-nitro-6-(2-nitrophenyl)hexa-3,5-dienoate Traditional Name: (3E,5E)-2-hydroxy-3-nitro-6-(2-nitrophenyl)hexa-3,5-dienoic acid ethyl ester Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=CC=CC1=CC=CC=C1[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O7/c1-2-23-14(18)13(17)12(16(21)22)9-5-7-10-6-3-4-8-11(10)15(19)20/h3-9,13,17H,2H2,1H3/b7-5+,12-9+