[(1S)-2-oxidanylidenecyclohexyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5/c14-9-6-5-8(7-10(9)15(18)19)13(17)20-12-4-2-1-3-11(12)16/h5-7,12H,1-4,14H2/t12-/m0/s1