2-nitrooxyethyl (2E)-2-(1,2,3-benzoxadiazol-4-ylmethylidene)-3-oxidanylidene-butanoate

Systemtic Name: 2-nitrooxyethyl (2E)-2-(1,2,3-benzoxadiazol-4-ylmethylidene)-3-oxidanylidene-butanoate Openeye Name: 2-nitrooxyethyl (2E)-2-(1,2,3-benzoxadiazol-4-ylmethylene)-3-oxo-butanoate CAS Name: (2E)-2-(1,2,3-benzoxadiazol-4-ylmethylidene)-3-oxobutanoic acid 2-nitrooxyethyl ester IUPAC Name: 2-nitrooxyethyl (2E)-2-(1,2,3-benzoxadiazol-4-ylmethylidene)-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(1,2,3-benzoxadiazol-4-yl)acrylic acid 2-nitrooxyethyl ester Formula: C13H11N3O7 MolecularWeight: 321.24234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C2C(=CC=C1)ON=N2)C(=O)OCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=C2C(=CC=C1)ON=N2)/C(=O)OCCO[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O7/c1-8(17)10(13(18)21-5-6-22-16(19)20)7-9-3-2-4-11-12(9)14-15-23-11/h2-4,7H,5-6H2,1H3/b10-7+