N-[3-(dibutylamino)propyl]-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: N-[3-(dibutylamino)propyl]-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: N-[3-(dibutylamino)propyl]-3-(3-nitrophenyl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: N-[3-(dibutylamino)propyl]-3-(3-nitrophenyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: N-[3-(dibutylamino)propyl]-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: N-[3-(dibutylamino)propyl]-3-(3-nitrophenyl)-2-isoxazoline-5-carboxamide Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)CCCNC(=O)C1CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O4/c1-3-5-12-24(13-6-4-2)14-8-11-22-21(26)20-16-19(23-29-20)17-9-7-10-18(15-17)25(27)28/h7,9-10,15,20H,3-6,8,11-14,16H2,1-2H3,(H,22,26)