isothiocyanato-(4-nitro-1H-pyrrol-2-yl)methanone

Systemtic Name: isothiocyanato-(4-nitro-1H-pyrrol-2-yl)methanone Openeye Name: 4-nitro-1H-pyrrole-2-carbonyl isothiocyanate CAS Name: isothiocyanato-(4-nitro-1H-pyrrol-2-yl)methanone IUPAC Name: 4-nitro-1H-pyrrole-2-carbonyl isothiocyanate Traditional Name: isothiocyanato-(4-nitro-1H-pyrrol-2-yl)methanone Formula: C6H3N3O3S MolecularWeight: 197.17132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O3S/c10-6(8-3-13)5-1-4(2-7-5)9(11)12/h1-2,7H