2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylpropanoic acid Openeye Name: 2-(4-carbamoyl-2-nitro-phenyl)sulfanylpropanoic acid CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]propanoic acid IUPAC Name: 2-(4-carbamoyl-2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]propionic acid Formula: C10H10N2O5S MolecularWeight: 270.2618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O5S/c1-5(10(14)15)18-8-3-2-6(9(11)13)4-7(8)12(16)17/h2-5H,1H3,(H2,11,13)(H,14,15)