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

Systemtic Name: 2-nitro-N'-[5-nitro-6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]benzohydrazide Openeye Name: 2-nitro-N'-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]benzohydrazide CAS Name: 2-nitro-N'-[5-nitro-6-(4-phenoxyanilino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-nitro-N'-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]benzohydrazide Traditional Name: 2-nitro-N'-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]benzohydrazide Formula: C23H17N7O6 MolecularWeight: 487.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H17N7O6/c31-23(18-8-4-5-9-19(18)29(32)33)28-27-22-20(30(34)35)21(24-14-25-22)26-15-10-12-17(13-11-15)36-16-6-2-1-3-7-16/h1-14H,(H,28,31)(H2,24,25,26,27)