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

Systemtic Name: 6-nitro-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-(4-benzylpiperidino)-2-keto-ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H21N3O5/c25-20(22-10-8-16(9-11-22)12-15-4-2-1-3-5-15)14-23-18-7-6-17(24(27)28)13-19(18)29-21(23)26/h1-7,13,16H,8-12,14H2