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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C14H13BrN4O5S MolecularWeight: 429.24582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)NC

InChI

InChI=1S/C14H13BrN4O5S/c1-7-12(13(16-2)25-18-7)14(21)24-6-11(20)17-10-4-3-8(19(22)23)5-9(10)15/h3-5,16H,6H2,1-2H3,(H,17,20)