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

Systemtic Name: methyl 2-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(2-chloro-4-nitro-benzoyl)-isopentyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-chloro-4-nitrobenzoyl)-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[(2-chloro-4-nitro-benzoyl)-isoamyl-amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C18H20ClN3O6 MolecularWeight: 409.8209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O6/c1-11(2)6-7-21(9-16-20-15(10-28-16)18(24)27-3)17(23)13-5-4-12(22(25)26)8-14(13)19/h4-5,8,10-11H,6-7,9H2,1-3H3