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

Systemtic Name: 3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[4-(m-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=C1)N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

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