N'-[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]-2,2-diphenyl-ethanehydrazide

Systemtic Name: N'-[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]-2,2-diphenyl-ethanehydrazide Openeye Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-2,2-diphenyl-acetohydrazide CAS Name: N'-[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]-2,2-diphenylacetohydrazide IUPAC Name: N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide Traditional Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-2,2-diphenyl-acetohydrazide Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28N6O3/c1-2-3-10-20-15-17-23(18-16-20)31-26-25(34(36)37)27(30-19-29-26)32-33-28(35)24(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-19,24H,2-3,10H2,1H3,(H,33,35)(H2,29,30,31,32)