isothiocyanato-(4-methoxy-3-nitro-phenyl)methanone

Systemtic Name: isothiocyanato-(4-methoxy-3-nitro-phenyl)methanone Openeye Name: 4-methoxy-3-nitro-benzoyl isothiocyanate CAS Name: isothiocyanato-(4-methoxy-3-nitrophenyl)methanone IUPAC Name: 4-methoxy-3-nitrobenzoyl isothiocyanate Traditional Name: isothiocyanato-(4-methoxy-3-nitro-phenyl)methanone Formula: C9H6N2O4S MolecularWeight: 238.21994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O4S/c1-15-8-3-2-6(9(12)10-5-16)4-7(8)11(13)14/h2-4H,1H3