2-[1-(isothiocyanatomethyl)cyclohexyl]-5-nitro-aniline

Systemtic Name: 2-[1-(isothiocyanatomethyl)cyclohexyl]-5-nitro-aniline Openeye Name: 2-[1-(isothiocyanatomethyl)cyclohexyl]-5-nitro-aniline CAS Name: 2-[1-(isothiocyanatomethyl)cyclohexyl]-5-nitroaniline IUPAC Name: 2-[1-(isothiocyanatomethyl)cyclohexyl]-5-nitroaniline Traditional Name: [2-[1-(isothiocyanatomethyl)cyclohexyl]-5-nitro-phenyl]amine Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN=C=S)C2=C(C=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1CCC(CC1)(CN=C=S)C2=C(C=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H17N3O2S/c15-13-8-11(17(18)19)4-5-12(13)14(9-16-10-20)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,15H2