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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-methyl-2-phenyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-phenyl-5-thiazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-phenyl-thiazole-5-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O5S/c1-12-8-9-15(10-16(12)22(25)26)17(23)11-27-20(24)18-13(2)21-19(28-18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3