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

Systemtic Name: N'-[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]-4-chloranyl-3-nitro-benzohydrazide Openeye Name: N'-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: N'-[6-(4-butoxyanilino)-5-nitro-4-pyrimidinyl]-4-chloro-3-nitrobenzohydrazide IUPAC Name: N'-[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]-4-chloro-3-nitrobenzohydrazide Traditional Name: N'-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C21H20ClN7O6 MolecularWeight: 501.8798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C21H20ClN7O6/c1-2-3-10-35-15-7-5-14(6-8-15)25-19-18(29(33)34)20(24-12-23-19)26-27-21(30)13-4-9-16(22)17(11-13)28(31)32/h4-9,11-12H,2-3,10H2,1H3,(H,27,30)(H2,23,24,25,26)