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

Systemtic Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide Openeye Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide CAS Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-2-nitrobenzohydrazide IUPAC Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide Traditional Name: N'-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide Formula: C21H21N7O7 MolecularWeight: 483.43414

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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[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O7/c1-34-16-8-7-13(11-17(16)35-2)9-10-22-19-18(28(32)33)20(24-12-23-19)25-26-21(29)14-5-3-4-6-15(14)27(30)31/h3-8,11-12H,9-10H2,1-2H3,(H,26,29)(H2,22,23,24,25)