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

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]benzohydrazide Openeye Name: 4-chloro-N'-[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-3-nitro-N'-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-N'-(6-cumidino-5-nitro-pyrimidin-4-yl)-3-nitro-benzohydrazide Formula: C20H18ClN7O5 MolecularWeight: 471.85382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN7O5/c1-11(2)12-3-6-14(7-4-12)24-18-17(28(32)33)19(23-10-22-18)25-26-20(29)13-5-8-15(21)16(9-13)27(30)31/h3-11H,1-2H3,(H,26,29)(H2,22,23,24,25)