6-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid

Systemtic Name: 6-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid Openeye Name: 6-[2-(3-nitroanilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: 6-[2-(3-nitroanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid IUPAC Name: 6-[2-(3-nitroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid Traditional Name: 5-keto-6-[2-keto-2-(3-nitroanilino)ethyl]thiomorpholine-3-carboxylic acid Formula: C13H13N3O6S MolecularWeight: 339.32382

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(S1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(NC(=O)C(S1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H13N3O6S/c17-11(14-7-2-1-3-8(4-7)16(21)22)5-10-12(18)15-9(6-23-10)13(19)20/h1-4,9-10H,5-6H2,(H,14,17)(H,15,18)(H,19,20)