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

Systemtic Name: 6-nitro-3-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-(4-benzyl-1-piperidyl)-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-(4-benzylpiperidino)-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C23H25N3O5/c27-22(24-13-10-18(11-14-24)15-17-5-2-1-3-6-17)7-4-12-25-20-9-8-19(26(29)30)16-21(20)31-23(25)28/h1-3,5-6,8-9,16,18H,4,7,10-15H2