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

Systemtic Name: 6-nitro-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-6-nitro-1,4-benzoxazin-3-one CAS Name: 6-nitro-4-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[2-(4-benzylpiperidino)-2-keto-ethyl]-6-nitro-1,4-benzoxazin-3-one Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c26-21(23-10-8-17(9-11-23)12-16-4-2-1-3-5-16)14-24-19-13-18(25(28)29)6-7-20(19)30-15-22(24)27/h1-7,13,17H,8-12,14-15H2