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

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(3-oxo-1-piperazinyl)phenyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[4-(3-ketopiperazino)phenyl]butyramide Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O6/c27-19(23-14-3-5-15(6-4-14)24-11-9-22-20(28)13-24)2-1-10-25-17-8-7-16(26(30)31)12-18(17)32-21(25)29/h3-8,12H,1-2,9-11,13H2,(H,22,28)(H,23,27)