4-(3-nitrophenyl)carbonylthiomorpholine-3-carboxylic acid

Systemtic Name: 4-(3-nitrophenyl)carbonylthiomorpholine-3-carboxylic acid Openeye Name: 4-(3-nitrobenzoyl)thiomorpholine-3-carboxylic acid CAS Name: 4-[(3-nitrophenyl)-oxomethyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(3-nitrobenzoyl)thiomorpholine-3-carboxylic acid Traditional Name: 4-(3-nitrobenzoyl)thiomorpholine-3-carboxylic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CSCC(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H12N2O5S/c15-11(8-2-1-3-9(6-8)14(18)19)13-4-5-20-7-10(13)12(16)17/h1-3,6,10H,4-5,7H2,(H,16,17)