methyl 2-[[tert-butyl-(2-chloranyl-4-nitro-phenyl)carbonyl-amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[tert-butyl-(2-chloranyl-4-nitro-phenyl)carbonyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[tert-butyl-(2-chloro-4-nitro-benzoyl)amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[tert-butyl-[(2-chloro-4-nitrophenyl)-oxomethyl]amino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[tert-butyl-(2-chloro-4-nitrobenzoyl)amino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[tert-butyl-(2-chloro-4-nitro-benzoyl)amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C17H18ClN3O6 MolecularWeight: 395.79432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=NC(=CO1)C(=O)OC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)N(CC1=NC(=CO1)C(=O)OC)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O6/c1-17(2,3)20(8-14-19-13(9-27-14)16(23)26-4)15(22)11-6-5-10(21(24)25)7-12(11)18/h5-7,9H,8H2,1-4H3