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

Systemtic Name: isothiocyanato-(3-methyl-4-nitro-phenyl)methanone Openeye Name: 3-methyl-4-nitro-benzoyl isothiocyanate CAS Name: isothiocyanato-(3-methyl-4-nitrophenyl)methanone IUPAC Name: 3-methyl-4-nitrobenzoyl isothiocyanate Traditional Name: isothiocyanato-(3-methyl-4-nitro-phenyl)methanone Formula: C9H6N2O3S MolecularWeight: 222.22054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N=C=S)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N=C=S)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O3S/c1-6-4-7(9(12)10-5-15)2-3-8(6)11(13)14/h2-4H,1H3