5-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole

Systemtic Name: 5-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-3-(4-methoxyphenyl)isoxazole CAS Name: 5-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-3-(4-methoxyphenyl)isoxazole IUPAC Name: 5-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-3-(4-methoxyphenyl)isoxazole Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O4/c1-29-17-5-2-15(3-6-17)19-13-18(30-23-19)14-24-8-10-25(11-9-24)20-7-4-16(22)12-21(20)26(27)28/h2-7,12-13H,8-11,14H2,1H3