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

Systemtic Name: methyl 2-[[(4-methyl-3-nitro-phenyl)carbonyl-propan-2-yl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[isopropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[(4-methyl-3-nitrophenyl)-oxomethyl]-propan-2-ylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-methyl-3-nitrobenzoyl)-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[isopropyl-(4-methyl-3-nitro-benzoyl)amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=NC(=CO2)C(=O)OC)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=NC(=CO2)C(=O)OC)C(C)C)[N+](=O)[O-]

InChI

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