4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[[(1R)-2-methoxy-1-methyl-ethyl]carbamothioylhydrazono]methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[[[[(2R)-1-methoxypropan-2-yl]amino]-sulfanylidenemethyl]hydrazinylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[[(1R)-2-methoxy-1-methyl-ethyl]thiocarbamoylhydrazono]methyl]-2-nitro-phenolate Formula: C12H15N4O4S- MolecularWeight: 311.3369

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)NN=CC1=CC(=C(C=C1)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NC(=S)N/N=C\C1=CC(=C(C=C1)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4S/c1-8(7-20-2)14-12(21)15-13-6-9-3-4-11(17)10(5-9)16(18)19/h3-6,8,17H,7H2,1-2H3,(H2,14,15,21)/p-1/b13-6-/t8-/m1/s1