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

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

Systemtic Name:2-nitrooxyethyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate
Openeye Name:2-nitrooxyethyl (2Z)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate
CAS Name:(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-nitrooxyethyl ester
IUPAC Name:2-nitrooxyethyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
Traditional Name:(Z)-2-acetyl-3-(3-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)12(13(17)22-5-6-23-15(20)21)8-10-3-2-4-11(7-10)14(18)19/h2-4,7-8H,5-6H2,1H3/b12-8-


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