1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-nitro-phenyl]but-3-ynyl]-1-oxidanyl-urea

Systemtic Name: 1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-nitro-phenyl]but-3-ynyl]-1-oxidanyl-urea Openeye Name: 1-hydroxy-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-nitro-phenyl]but-3-ynyl]urea CAS Name: 1-hydroxy-1-[4-[4-[2-(4-methyl-1-piperazinyl)ethoxy]-2-nitrophenyl]but-3-ynyl]urea IUPAC Name: 1-hydroxy-1-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-nitrophenyl]but-3-ynyl]urea Traditional Name: 1-hydroxy-1-[4-[4-[2-(4-methylpiperazino)ethoxy]-2-nitro-phenyl]but-3-ynyl]urea Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCOC2=CC(=C(C=C2)C#CCCN(C(=O)N)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCOC2=CC(=C(C=C2)C#CCCN(C(=O)N)O)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O5/c1-20-8-10-21(11-9-20)12-13-28-16-6-5-15(17(14-16)23(26)27)4-2-3-7-22(25)18(19)24/h5-6,14,25H,3,7-13H2,1H3,(H2,19,24)