3-[2-[(5-nitro-2-oxidanidyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-[(5-nitro-2-oxidanidyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(5-nitro-2-oxido-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(5-nitro-2-oxidoanilino)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(5-nitro-2-oxidoanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(5-nitro-2-oxido-anilino)ethyl]thio]propionate Formula: C11H10N2O6S-2 MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CSCCC(=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CSCCC(=O)[O-])[O-]

InChI

InChI=1S/C11H12N2O6S/c14-9-2-1-7(13(18)19)5-8(9)12-10(15)6-20-4-3-11(16)17/h1-2,5,14H,3-4,6H2,(H,12,15)(H,16,17)/p-2