2-methoxy-4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(Z)-[[(1R)-2-methoxy-1-methyl-ethyl]carbamothioylhydrazono]methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(Z)-[[[[(2R)-1-methoxypropan-2-yl]amino]-sulfanylidenemethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[(Z)-[[(1R)-2-methoxy-1-methyl-ethyl]thiocarbamoylhydrazono]methyl]-6-nitro-phenolate Formula: C13H17N4O5S- MolecularWeight: 341.36288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O5S/c1-8(7-21-2)15-13(23)16-14-6-9-4-10(17(19)20)12(18)11(5-9)22-3/h4-6,8,18H,7H2,1-3H3,(H2,15,16,23)/p-1/b14-6-/t8-/m1/s1