2-nitrooxypropyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-nitrooxypropyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-nitrooxypropyl (2E)-2-[(2-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoic acid 2-nitrooxypropyl ester IUPAC Name: 2-nitrooxypropyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(2-nitrophenyl)acrylic acid 2-nitrooxypropyl ester Formula: C14H14N2O8 MolecularWeight: 338.26956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O8/c1-9(24-16(21)22)8-23-14(18)12(10(2)17)7-11-5-3-4-6-13(11)15(19)20/h3-7,9H,8H2,1-2H3/b12-7+