4-chloranyl-3-nitro-N'-[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-[(phenylmethyl)-(2-pyridinyl)amino]-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]-4-chloro-3-nitrobenzohydrazide Traditional Name: N'-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C23H17ClN8O5 MolecularWeight: 520.88468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN8O5/c24-17-10-9-16(12-18(17)31(34)35)23(33)29-28-21-20(32(36)37)22(27-14-26-21)30(19-8-4-5-11-25-19)13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H,29,33)(H,26,27,28)