2-acetamido-3-[1-(2-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[1-(2-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[1-(2-nitrophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[1-(2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[2,5-diketo-1-(2-nitrophenyl)pyrrolidin-3-yl]thio]propionic acid Formula: C15H15N3O7S MolecularWeight: 381.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CC(=O)N(C1=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1CC(=O)N(C1=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H15N3O7S/c1-8(19)16-9(15(22)23)7-26-12-6-13(20)17(14(12)21)10-4-2-3-5-11(10)18(24)25/h2-5,9,12H,6-7H2,1H3,(H,16,19)(H,22,23)