2-[2-[[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]amino]-2-oxidanylidene-ethoxy]ethanoic acid

Systemtic Name: 2-[2-[[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]amino]-2-oxidanylidene-ethoxy]ethanoic acid Openeye Name: 2-[2-[3-(2-hydroxyethylsulfanyl)-5-nitro-anilino]-2-oxo-ethoxy]acetic acid CAS Name: 2-[2-[3-(2-hydroxyethylthio)-5-nitroanilino]-2-oxoethoxy]acetic acid IUPAC Name: 2-[2-[3-(2-hydroxyethylsulfanyl)-5-nitroanilino]-2-oxoethoxy]acetic acid Traditional Name: 2-[2-[3-(2-hydroxyethylthio)-5-nitro-anilino]-2-keto-ethoxy]acetic acid Formula: C12H14N2O7S MolecularWeight: 330.31376

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])SCCO)NC(=O)COCC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])SCCO)NC(=O)COCC(=O)O

InChI

InChI=1S/C12H14N2O7S/c15-1-2-22-10-4-8(3-9(5-10)14(19)20)13-11(16)6-21-7-12(17)18/h3-5,15H,1-2,6-7H2,(H,13,16)(H,17,18)