methyl 2-[[(4-nitrophenyl)carbamoyl-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-nitrophenyl)carbamoyl-pentyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(4-nitrophenyl)carbamoyl-pentyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[(4-nitroanilino)-oxomethyl]-pentylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-nitrophenyl)carbamoyl-pentylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[amyl-[(4-nitrophenyl)carbamoyl]amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CO1)C(=O)OC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC1=NC(=CO1)C(=O)OC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O6/c1-3-4-5-10-21(11-16-20-15(12-28-16)17(23)27-2)18(24)19-13-6-8-14(9-7-13)22(25)26/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,24)