4-[[4-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]piperazino]methyl]benzonitrile Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5/c23-12-16-1-3-17(4-2-16)13-24-7-9-25(10-8-24)21(28)14-26-19-11-18(27(30)31)5-6-20(19)32-15-22(26)29/h1-6,11H,7-10,13-15H2