[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2,4-dimethylthiazole-5-carboxylate CAS Name: 2,4-dimethyl-5-thiazolecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2,4-dimethylthiazole-5-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C14H12BrN3O5S MolecularWeight: 414.23118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C14H12BrN3O5S/c1-7-13(24-8(2)16-7)14(20)23-6-12(19)17-11-4-3-9(18(21)22)5-10(11)15/h3-5H,6H2,1-2H3,(H,17,19)