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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-(4-chlorophenyl)thiazole-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-thiazolecarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-chlorophenyl)thiazole-4-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C19H14ClN3O5S MolecularWeight: 431.84956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H14ClN3O5S/c1-11-2-7-14(8-16(11)23(26)27)21-17(24)9-28-19(25)15-10-29-18(22-15)12-3-5-13(20)6-4-12/h2-8,10H,9H2,1H3,(H,21,24)