2-ethoxy-4-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]-6-nitro-phenolate

Systemtic Name: 2-ethoxy-4-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]-6-nitro-phenolate Openeye Name: 2-ethoxy-4-[(Z)-(ethylcarbamothioylhydrazono)methyl]-6-nitro-phenolate CAS Name: 2-ethoxy-4-[(Z)-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 2-ethoxy-4-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]-6-nitrophenolate Traditional Name: 2-ethoxy-4-[(Z)-(ethylthiocarbamoylhydrazono)methyl]-6-nitro-phenolate Formula: C12H15N4O4S- MolecularWeight: 311.3369

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC(=C(C(=C1)OCC)[O-])[N+](=O)[O-]

Isomeric SMILES

CCNC(=S)N/N=C\C1=CC(=C(C(=C1)OCC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4S/c1-3-13-12(21)15-14-7-8-5-9(16(18)19)11(17)10(6-8)20-4-2/h5-7,17H,3-4H2,1-2H3,(H2,13,15,21)/p-1/b14-7-