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

Systemtic Name: (2-nitrooxycyclohexyl) (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: (2-nitrooxycyclohexyl) (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid (2-nitrooxycyclohexyl) ester IUPAC Name: (2-nitrooxycyclohexyl) (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid (2-nitrooxycyclohexyl) ester Formula: C17H18N2O8 MolecularWeight: 378.33342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC2CCCCC2O[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OC2CCCCC2O[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O8/c1-11(20)14(10-12-5-4-6-13(9-12)18(22)23)17(21)26-15-7-2-3-8-16(15)27-19(24)25/h4-6,9-10,15-16H,2-3,7-8H2,1H3/b14-10+