(4-methoxy-3-nitro-phenyl)methyl thiocyanate

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl thiocyanate Openeye Name: (4-methoxy-3-nitro-phenyl)methyl thiocyanate CAS Name: thiocyanic acid (4-methoxy-3-nitrophenyl)methyl ester IUPAC Name: (4-methoxy-3-nitrophenyl)methyl thiocyanate Traditional Name: thiocyanic acid (4-methoxy-3-nitro-benzyl) ester Formula: C9H8N2O3S MolecularWeight: 224.23642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC#N)[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O3S/c1-14-9-3-2-7(5-15-6-10)4-8(9)11(12)13/h2-4H,5H2,1H3