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

Systemtic Name: 3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[2-[4-(o-tolyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-(2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[4-(o-tolyl)piperazino]ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H20N4O5/c1-14-4-2-3-5-16(14)21-8-10-22(11-9-21)19(25)13-23-17-7-6-15(24(27)28)12-18(17)29-20(23)26/h2-7,12H,8-11,13H2,1H3