methyl 2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=C(C2=CC=CC=C2)NO)N=O

Isomeric SMILES

COC(=O)C1=C(SC=C1)N/C(=C(/C2=CC=CC=C2)\NO)/N=O

InChI

InChI=1S/C14H13N3O4S/c1-21-14(18)10-7-8-22-13(10)15-12(17-20)11(16-19)9-5-3-2-4-6-9/h2-8,15-16,19H,1H3/b12-11+