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

Systemtic Name: isothiocyanato-(1-methyl-4-nitro-pyrrol-2-yl)methanone Openeye Name: 1-methyl-4-nitro-pyrrole-2-carbonyl isothiocyanate CAS Name: isothiocyanato-(1-methyl-4-nitro-2-pyrrolyl)methanone IUPAC Name: 1-methyl-4-nitropyrrole-2-carbonyl isothiocyanate Traditional Name: isothiocyanato-(1-methyl-4-nitro-pyrrol-2-yl)methanone Formula: C7H5N3O3S MolecularWeight: 211.1979

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N=C=S)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N=C=S)[N+](=O)[O-]

InChI

InChI=1S/C7H5N3O3S/c1-9-3-5(10(12)13)2-6(9)7(11)8-4-14/h2-3H,1H3