isothiocyanato-(3-nitrophenyl)methanone

Systemtic Name: isothiocyanato-(3-nitrophenyl)methanone Openeye Name: 3-nitrobenzoyl isothiocyanate CAS Name: isothiocyanato-(3-nitrophenyl)methanone IUPAC Name: 3-nitrobenzoyl isothiocyanate Traditional Name: isothiocyanato-(3-nitrophenyl)methanone Formula: C8H4N2O3S MolecularWeight: 208.19396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4N2O3S/c11-8(9-5-14)6-2-1-3-7(4-6)10(12)13/h1-4H