ethyl 4-methyl-2-[(4-nitrophenyl)amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-nitrophenyl)amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-(4-nitroanilino)thiazole-5-carboxylate CAS Name: 4-methyl-2-(4-nitroanilino)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(4-nitroanilino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(4-nitroanilino)thiazole-5-carboxylic acid ethyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N3O4S/c1-3-20-12(17)11-8(2)14-13(21-11)15-9-4-6-10(7-5-9)16(18)19/h4-7H,3H2,1-2H3,(H,14,15)