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

Systemtic Name: 4-[[4-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoyl]piperazino]methyl]benzonitrile Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C23H23N5O5/c24-15-17-3-5-18(6-4-17)16-25-10-12-26(13-11-25)22(29)2-1-9-27-20-8-7-19(28(31)32)14-21(20)33-23(27)30/h3-8,14H,1-2,9-13,16H2