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

Systemtic Name: N'-[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]-4-chloranyl-benzohydrazide Openeye Name: N'-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-4-chloro-benzohydrazide CAS Name: N'-[6-(4-butoxyanilino)-5-nitro-4-pyrimidinyl]-4-chlorobenzohydrazide IUPAC Name: N'-[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]-4-chlorobenzohydrazide Traditional Name: N'-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-4-chloro-benzohydrazide Formula: C21H21ClN6O4 MolecularWeight: 456.88224

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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-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN6O4/c1-2-3-12-32-17-10-8-16(9-11-17)25-19-18(28(30)31)20(24-13-23-19)26-27-21(29)14-4-6-15(22)7-5-14/h4-11,13H,2-3,12H2,1H3,(H,27,29)(H2,23,24,25,26)