2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-4-nitro-phenolate Formula: C14H17N2O3- MolecularWeight: 261.29638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H18N2O3/c1-10-4-2-3-5-13(10)15-9-11-8-12(16(18)19)6-7-14(11)17/h6-10,13,17H,2-5H2,1H3/p-1/t10-,13-/m0/s1