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

Systemtic Name: methyl 2-[[(3,5-dinitrophenyl)carbonyl-propyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(3,5-dinitrobenzoyl)-propyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[(3,5-dinitrophenyl)-oxomethyl]-propylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3,5-dinitrobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[(3,5-dinitrobenzoyl)-propyl-amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C16H16N4O8 MolecularWeight: 392.32024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O8/c1-3-4-18(8-14-17-13(9-28-14)16(22)27-2)15(21)10-5-11(19(23)24)7-12(6-10)20(25)26/h5-7,9H,3-4,8H2,1-2H3