2-azanyl-3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(4-nitroanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(4-nitroanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-(4-nitroanilino)ethyl]thio]propionic acid Formula: C11H13N3O5S MolecularWeight: 299.30302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSCC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSCC(C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5S/c12-9(11(16)17)5-20-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)