[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C14H13ClN4O5S MolecularWeight: 384.79482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)N

Isomeric SMILES

CC1=NSC(=C1C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)N

InChI

InChI=1S/C14H13ClN4O5S/c1-6-11(12(16)25-18-6)14(21)24-7(2)13(20)17-10-5-8(19(22)23)3-4-9(10)15/h3-5,7H,16H2,1-2H3,(H,17,20)