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

Systemtic Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]-2-oxo-ethyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[4-[2-(4-methoxyphenyl)ethyl]piperidino]ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C23H25N3O6/c1-31-19-7-4-16(5-8-19)2-3-17-10-12-24(13-11-17)22(27)15-25-20-9-6-18(26(29)30)14-21(20)32-23(25)28/h4-9,14,17H,2-3,10-13,15H2,1H3