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

Systemtic Name: 2-methoxy-6-nitro-4-[(Z)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenolate Openeye Name: 4-[(Z)-(allylcarbamothioylhydrazono)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-6-nitro-4-[(Z)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(Z)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenolate Traditional Name: 4-[(Z)-(allylthiocarbamoylhydrazono)methyl]-2-methoxy-6-nitro-phenolate Formula: C12H13N4O4S- MolecularWeight: 309.32102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=NNC(=S)NCC=C

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=N\NC(=S)NCC=C

InChI

InChI=1S/C12H14N4O4S/c1-3-4-13-12(21)15-14-7-8-5-9(16(18)19)11(17)10(6-8)20-2/h3,5-7,17H,1,4H2,2H3,(H2,13,15,21)/p-1/b14-7-