methyl (2E)-2-[(3-nitrocyclohexyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl (2E)-2-[(3-nitrocyclohexyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (2E)-2-[(3-nitrocyclohexyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrocyclohexyl)methylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(3-nitrocyclohexyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrocyclohexyl)acrylic acid methyl ester Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1CCCC(C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)/C(=C\C1CCCC(C1)[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C12H17NO5/c1-8(14)11(12(15)18-2)7-9-4-3-5-10(6-9)13(16)17/h7,9-10H,3-6H2,1-2H3/b11-7+