2-[[(1S,2S)-2-methylcyclohexyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(1S,2S)-2-methylcyclohexyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(1S,2S)-2-methylcyclohexyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(1S,2S)-2-methylcyclohexyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(1S,2S)-2-methylcyclohexyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(1S,2S)-2-methylcyclohexyl]amino]-5-nitro-benzonitrile Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H17N3O2/c1-10-4-2-3-5-13(10)16-14-7-6-12(17(18)19)8-11(14)9-15/h6-8,10,13,16H,2-5H2,1H3/t10-,13-/m0/s1