3-[(5-methyl-2-nitro-phenyl)methyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[(5-methyl-2-nitro-phenyl)methyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[(5-methyl-2-nitro-phenyl)methyl]thiazolidine-4-carboxylic acid CAS Name: 3-[(5-methyl-2-nitrophenyl)methyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[(5-methyl-2-nitrophenyl)methyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(5-methyl-2-nitro-benzyl)thiazolidine-4-carboxylic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])CN2CSCC2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])CN2CSCC2C(=O)O

InChI

InChI=1S/C12H14N2O4S/c1-8-2-3-10(14(17)18)9(4-8)5-13-7-19-6-11(13)12(15)16/h2-4,11H,5-7H2,1H3,(H,15,16)