N'-[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: N'-[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(4-butoxyanilino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C21H22N6O4 MolecularWeight: 422.43718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O4/c1-2-3-13-31-17-11-9-16(10-12-17)24-19-18(27(29)30)20(23-14-22-19)25-26-21(28)15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3,(H,26,28)(H2,22,23,24,25)