2-[(4-chloranyl-2-nitro-phenyl)amino]butyl thiocyanate

Systemtic Name: 2-[(4-chloranyl-2-nitro-phenyl)amino]butyl thiocyanate Openeye Name: 2-(4-chloro-2-nitro-anilino)butyl thiocyanate CAS Name: thiocyanic acid 2-(4-chloro-2-nitroanilino)butyl ester IUPAC Name: 2-(4-chloro-2-nitroanilino)butyl thiocyanate Traditional Name: thiocyanic acid 2-(4-chloro-2-nitro-anilino)butyl ester Formula: C11H12ClN3O2S MolecularWeight: 285.74988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC#N)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(CSC#N)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H12ClN3O2S/c1-2-9(6-18-7-13)14-10-4-3-8(12)5-11(10)15(16)17/h3-5,9,14H,2,6H2,1H3