[(1S)-2-oxidanylidenecyclohexyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H19NO7 MolecularWeight: 337.32456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC2CCCCC2=O)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O[C@H]2CCCCC2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C16H19NO7/c1-3-23-15-8-10(11(17(20)21)9-14(15)22-2)16(19)24-13-7-5-4-6-12(13)18/h8-9,13H,3-7H2,1-2H3/t13-/m0/s1