3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[4-(2-methoxyphenyl)piperazino]butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C22H24N4O6 MolecularWeight: 440.44916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H24N4O6/c1-31-19-6-3-2-5-17(19)23-11-13-24(14-12-23)21(27)7-4-10-25-18-9-8-16(26(29)30)15-20(18)32-22(25)28/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3