methyl 2-[[(3,5-dinitrophenyl)carbonyl-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[(3,5-dinitrophenyl)carbonyl-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(3,5-dinitrobenzoyl)-pentyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[(3,5-dinitrophenyl)-oxomethyl]-pentylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3,5-dinitrobenzoyl)-pentylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[amyl-(3,5-dinitrobenzoyl)amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C18H20N4O8 MolecularWeight: 420.3734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O8/c1-3-4-5-6-20(10-16-19-15(11-30-16)18(24)29-2)17(23)12-7-13(21(25)26)9-14(8-12)22(27)28/h7-9,11H,3-6,10H2,1-2H3