2-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(4-methoxy-4-oxo-butyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[(4-methoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(4-methoxy-4-oxobutyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(4-keto-4-methoxy-butyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C12H14N3O5S- MolecularWeight: 312.32166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H15N3O5S/c1-20-11(17)3-2-6-13-12(21)14-9-7-8(15(18)19)4-5-10(9)16/h4-5,7,16H,2-3,6H2,1H3,(H2,13,14,21)/p-1