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

Systemtic Name: 2-[1-(isothiocyanatomethyl)cyclobutyl]-5-nitro-aniline Openeye Name: 2-[1-(isothiocyanatomethyl)cyclobutyl]-5-nitro-aniline CAS Name: 2-[1-(isothiocyanatomethyl)cyclobutyl]-5-nitroaniline IUPAC Name: 2-[1-(isothiocyanatomethyl)cyclobutyl]-5-nitroaniline Traditional Name: [2-[1-(isothiocyanatomethyl)cyclobutyl]-5-nitro-phenyl]amine Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(CN=C=S)C2=C(C=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1CC(C1)(CN=C=S)C2=C(C=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C12H13N3O2S/c13-11-6-9(15(16)17)2-3-10(11)12(4-1-5-12)7-14-8-18/h2-3,6H,1,4-5,7,13H2