6-chloranyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C18H18ClN4O4+ MolecularWeight: 389.81292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O4/c19-13-1-6-16-17(11-13)27-18(24)22(16)12-20-7-9-21(10-8-20)14-2-4-15(5-3-14)23(25)26/h1-6,11H,7-10,12H2/p+1