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

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=NO2)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=NO2)C

InChI

InChI=1S/C14H13N3O6/c1-8-5-10(17(20)21)3-4-11(8)15-13(18)7-22-14(19)12-6-9(2)16-23-12/h3-6H,7H2,1-2H3,(H,15,18)