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

Systemtic Name: 4-methyl-2-(4-morpholin-4-yl-3-nitro-phenyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-(4-morpholino-3-nitro-phenyl)thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[4-(4-morpholinyl)-3-nitrophenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-(4-morpholin-4-yl-3-nitrophenyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-(4-morpholino-3-nitro-phenyl)thiazole-5-carboxylic acid Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H15N3O5S/c1-9-13(15(19)20)24-14(16-9)10-2-3-11(12(8-10)18(21)22)17-4-6-23-7-5-17/h2-3,8H,4-7H2,1H3,(H,19,20)