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

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(ON=C2C)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(ON=C2C)C(C)C

InChI

InChI=1S/C17H19N3O6/c1-9(2)16-15(11(4)19-26-16)17(22)25-8-14(21)18-13-7-12(20(23)24)6-5-10(13)3/h5-7,9H,8H2,1-4H3,(H,18,21)