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

Systemtic Name: 4-[2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidyl]-2-oxo-ethyl]-6-nitro-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidinyl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-[4-(2-p-phenetylethyl)piperidino]ethyl]-6-nitro-1,4-benzoxazin-3-one Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O6/c1-2-33-21-8-5-18(6-9-21)3-4-19-11-13-26(14-12-19)24(29)16-27-22-15-20(28(31)32)7-10-23(22)34-17-25(27)30/h5-10,15,19H,2-4,11-14,16-17H2,1H3