2-nitro-4-[(Z)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenolate

Systemtic Name: 2-nitro-4-[(Z)-(5-oxidanylidene-1-propyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenolate Openeye Name: 2-nitro-4-[(Z)-(5-oxo-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]phenolate CAS Name: 2-nitro-4-[(Z)-(5-oxo-1-propyl-2-sulfanylidene-4-imidazolidinylidene)methyl]phenolate IUPAC Name: 2-nitro-4-[(Z)-(5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenolate Traditional Name: 4-[(Z)-(5-keto-1-propyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-nitro-phenolate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])NC1=S

Isomeric SMILES

CCCN1C(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/NC1=S

InChI

InChI=1S/C13H13N3O4S/c1-2-5-15-12(18)9(14-13(15)21)6-8-3-4-11(17)10(7-8)16(19)20/h3-4,6-7,17H,2,5H2,1H3,(H,14,21)/p-1/b9-6-