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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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