[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O6S/c1-8-10(3)29-17(20-11(4)23)15(8)18(25)28-9(2)16(24)21-14-6-5-12(22(26)27)7-13(14)19/h5-7,9H,1-4H3,(H,20,23)(H,21,24)