N'-[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide

Systemtic Name: N'-[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide Openeye Name: N'-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide CAS Name: N'-[6-(4-butoxyanilino)-5-nitro-4-pyrimidinyl]-2-phenoxyacetohydrazide IUPAC Name: N'-[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide Traditional Name: N'-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O5/c1-2-3-13-32-18-11-9-16(10-12-18)25-21-20(28(30)31)22(24-15-23-21)27-26-19(29)14-33-17-7-5-4-6-8-17/h4-12,15H,2-3,13-14H2,1H3,(H,26,29)(H2,23,24,25,27)