3-chloranyl-N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 3-chloranyl-N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C21H21ClN6O5 MolecularWeight: 472.88164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21ClN6O5/c1-32-16-7-6-13(10-17(16)33-2)8-9-23-19-18(28(30)31)20(25-12-24-19)26-27-21(29)14-4-3-5-15(22)11-14/h3-7,10-12H,8-9H2,1-2H3,(H,27,29)(H2,23,24,25,26)