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

Systemtic Name: 2-nitrooxyethyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-nitrooxyethyl (2E)-2-[(2-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoic acid 2-nitrooxyethyl ester IUPAC Name: 2-nitrooxyethyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(2-nitrophenyl)acrylic acid 2-nitrooxyethyl ester Formula: C13H12N2O8 MolecularWeight: 324.24298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O8/c1-9(16)11(13(17)22-6-7-23-15(20)21)8-10-4-2-3-5-12(10)14(18)19/h2-5,8H,6-7H2,1H3/b11-8+