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

Systemtic Name: 2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]thiazolidine-4-carboxylic acid Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C3NC(CS3)C(=O)O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)C3NC(CS3)C(=O)O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-9-15(21(24)25)10(2)20(19-9)7-12-6-11(4-5-14(12)26-3)16-18-13(8-27-16)17(22)23/h4-6,13,16,18H,7-8H2,1-3H3,(H,22,23)