2-methoxy-4-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(Z)-(2-methoxyethylcarbamothioylhydrazono)methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(Z)-[[(2-methoxyethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[(Z)-(2-methoxyethylthiocarbamoylhydrazono)methyl]-6-nitro-phenolate Formula: C12H15N4O5S- MolecularWeight: 327.3363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COCCNC(=S)N/N=C\C1=CC(=C(C(=C1)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5S/c1-20-4-3-13-12(22)15-14-7-8-5-9(16(18)19)11(17)10(6-8)21-2/h5-7,17H,3-4H2,1-2H3,(H2,13,15,22)/p-1/b14-7-