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

Systemtic Name: 4-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one Openeye Name: 6-nitro-4-[2-oxo-2-[4-[2-(p-tolyl)ethyl]-1-piperidyl]ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-[4-[2-(p-tolyl)ethyl]piperidino]ethyl]-6-nitro-1,4-benzoxazin-3-one Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O5/c1-17-2-4-18(5-3-17)6-7-19-10-12-25(13-11-19)23(28)15-26-21-14-20(27(30)31)8-9-22(21)32-16-24(26)29/h2-5,8-9,14,19H,6-7,10-13,15-16H2,1H3