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

Systemtic Name: 3-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-[4-(1,3-benzoxazol-2-yl)piperidino]-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C23H22N4O6/c28-21(6-3-11-26-18-8-7-16(27(30)31)14-20(18)33-23(26)29)25-12-9-15(10-13-25)22-24-17-4-1-2-5-19(17)32-22/h1-2,4-5,7-8,14-15H,3,6,9-13H2