[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanoate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(4-methyl-2-oxo-thiazol-3-yl)propanoate CAS Name: 3-(4-methyl-2-oxo-3-thiazolyl)propanoic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate Traditional Name: 3-(2-keto-4-methyl-4-thiazolin-3-yl)propionic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H16ClN3O6S MolecularWeight: 413.83274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CSC(=O)N1CCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN3O6S/c1-9-8-27-16(23)19(9)6-5-14(21)26-10(2)15(22)18-13-7-11(20(24)25)3-4-12(13)17/h3-4,7-8,10H,5-6H2,1-2H3,(H,18,22)