N'-[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide

Systemtic Name: N'-[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide Openeye Name: N'-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide CAS Name: N'-[6-(3,5-dimethylanilino)-5-nitro-4-pyrimidinyl]-2-phenoxyacetohydrazide IUPAC Name: N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide Traditional Name: N'-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N6O4/c1-13-8-14(2)10-15(9-13)23-19-18(26(28)29)20(22-12-21-19)25-24-17(27)11-30-16-6-4-3-5-7-16/h3-10,12H,11H2,1-2H3,(H,24,27)(H2,21,22,23,25)