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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H10ClN3O6 MolecularWeight: 339.688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NOC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H10ClN3O6/c1-7-4-11(23-16-7)13(19)22-6-12(18)15-10-3-2-8(17(20)21)5-9(10)14/h2-5H,6H2,1H3,(H,15,18)