2-ethoxy-6-nitro-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenolate

Systemtic Name: 2-ethoxy-6-nitro-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenolate Openeye Name: 4-[(E)-(allylcarbamothioylhydrazono)methyl]-2-ethoxy-6-nitro-phenolate CAS Name: 2-ethoxy-6-nitro-4-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-ethoxy-6-nitro-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenolate Traditional Name: 4-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-ethoxy-6-nitro-phenolate Formula: C13H15N4O4S- MolecularWeight: 323.3476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=NNC(=S)NCC=C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=N/NC(=S)NCC=C

InChI

InChI=1S/C13H16N4O4S/c1-3-5-14-13(22)16-15-8-9-6-10(17(19)20)12(18)11(7-9)21-4-2/h3,6-8,18H,1,4-5H2,2H3,(H2,14,16,22)/p-1/b15-8+