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

Systemtic Name: 6-nitro-3-[4-oxidanylidene-4-(4-phenethylpiperidin-1-yl)butyl]-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[4-oxo-4-(4-phenethyl-1-piperidyl)butyl]-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[4-oxo-4-(4-phenethyl-1-piperidinyl)butyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[4-oxo-4-(4-phenethylpiperidin-1-yl)butyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-(4-phenethylpiperidino)butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C24H27N3O5/c28-23(25-15-12-19(13-16-25)9-8-18-5-2-1-3-6-18)7-4-14-26-21-11-10-20(27(30)31)17-22(21)32-24(26)29/h1-3,5-6,10-11,17,19H,4,7-9,12-16H2