4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]butanamide

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[4-(3-ketopiperazino)benzyl]butyramide Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H23N5O6/c28-20(24-13-15-3-5-16(6-4-15)25-11-9-23-21(29)14-25)2-1-10-26-18-8-7-17(27(31)32)12-19(18)33-22(26)30/h3-8,12H,1-2,9-11,13-14H2,(H,23,29)(H,24,28)