methyl 2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(4-chloro-3,5-dinitro-benzoyl)amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(4-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3,5-dinitrobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-chloro-3,5-dinitro-benzoyl)amino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C13H9ClN4O7S MolecularWeight: 400.75116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H9ClN4O7S/c1-5-10(12(20)25-2)26-13(15-5)16-11(19)6-3-7(17(21)22)9(14)8(4-6)18(23)24/h3-4H,1-2H3,(H,15,16,19)