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

Systemtic Name: 4-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-nitro-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-(4-o-phenetylpiperazino)ethyl]-6-nitro-1,4-benzoxazin-3-one Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6/c1-2-31-19-6-4-3-5-17(19)23-9-11-24(12-10-23)21(27)14-25-18-13-16(26(29)30)7-8-20(18)32-15-22(25)28/h3-8,13H,2,9-12,14-15H2,1H3