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

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-(4-methyl-1-piperazinyl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[2-(4-methylpiperazino)phenyl]butyramide Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H25N5O5/c1-24-11-13-25(14-12-24)18-6-3-2-5-17(18)23-21(28)7-4-10-26-19-9-8-16(27(30)31)15-20(19)32-22(26)29/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,23,28)