ethyl (E)-4-(1-nitro-2-oxidanylidene-cyclohexyl)but-2-enoate

Systemtic Name: ethyl (E)-4-(1-nitro-2-oxidanylidene-cyclohexyl)but-2-enoate Openeye Name: ethyl (E)-4-(1-nitro-2-oxo-cyclohexyl)but-2-enoate CAS Name: (E)-4-(1-nitro-2-oxocyclohexyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(1-nitro-2-oxocyclohexyl)but-2-enoate Traditional Name: (E)-4-(2-keto-1-nitro-cyclohexyl)but-2-enoic acid ethyl ester Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC1(CCCCC1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/CC1(CCCCC1=O)[N+](=O)[O-]

InChI

InChI=1S/C12H17NO5/c1-2-18-11(15)7-5-9-12(13(16)17)8-4-3-6-10(12)14/h5,7H,2-4,6,8-9H2,1H3/b7-5+