4-methyl-2-(3-nitro-4-piperidin-1-yl-phenyl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-(3-nitro-4-piperidin-1-yl-phenyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[3-nitro-4-(1-piperidyl)phenyl]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[3-nitro-4-(1-piperidinyl)phenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-(3-nitro-4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-(3-nitro-4-piperidino-phenyl)thiazole-5-carboxylic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H17N3O4S/c1-10-14(16(20)21)24-15(17-10)11-5-6-12(13(9-11)19(22)23)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H,20,21)