2-(carbamothioylamino)-4-nitro-phenolate

Systemtic Name: 2-(carbamothioylamino)-4-nitro-phenolate Openeye Name: 2-(carbamothioylamino)-4-nitro-phenolate CAS Name: 2-(carbamothioylamino)-4-nitrophenolate IUPAC Name: 2-(carbamothioylamino)-4-nitrophenolate Traditional Name: 4-nitro-2-thioureido-phenolate Formula: C7H6N3O3S- MolecularWeight: 212.20584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7N3O3S/c8-7(14)9-5-3-4(10(12)13)1-2-6(5)11/h1-3,11H,(H3,8,9,14)/p-1