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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O8/c1-10(17)13(14(18)23-6-3-7-24-16(21)22)9-11-4-2-5-12(8-11)15(19)20/h2,4-5,8-9H,3,6-7H2,1H3/b13-9+