methyl 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]sulfanylethanoate

Systemtic Name: methyl 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]sulfanylethanoate Openeye Name: methyl 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazono]propyl]sulfanylacetate CAS Name: 2-[[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propyl]sulfanylacetate Traditional Name: 2-[[(2E)-2-[(2,4-dinitrophenyl)hydrazono]propyl]thio]acetic acid methyl ester Formula: C12H14N4O6S MolecularWeight: 342.32776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CSCC(=O)OC

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CSCC(=O)OC

InChI

InChI=1S/C12H14N4O6S/c1-8(6-23-7-12(17)22-2)13-14-10-4-3-9(15(18)19)5-11(10)16(20)21/h3-5,14H,6-7H2,1-2H3/b13-8+