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

Systemtic Name: methyl 2-[[(4-chloranyl-3-nitro-phenyl)carbonyl-propyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(4-chloro-3-nitro-benzoyl)-propyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-propylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-chloro-3-nitrobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[(4-chloro-3-nitro-benzoyl)-propyl-amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C16H16ClN3O6 MolecularWeight: 381.76774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O6/c1-3-6-19(8-14-18-12(9-26-14)16(22)25-2)15(21)10-4-5-11(17)13(7-10)20(23)24/h4-5,7,9H,3,6,8H2,1-2H3