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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C24H30N5O5+ MolecularWeight: 468.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O)C

InChI

InChI=1S/C24H29N5O5/c1-3-26-11-13-27(14-12-26)20-8-6-18(15-17(20)2)25-23(30)5-4-10-28-21-9-7-19(29(32)33)16-22(21)34-24(28)31/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,25,30)/p+1