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

Systemtic Name: N'-[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]-4-chloranyl-benzohydrazide Openeye Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-4-chloro-benzohydrazide CAS Name: N'-[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]-4-chlorobenzohydrazide IUPAC Name: N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]-4-chlorobenzohydrazide Traditional Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-4-chloro-benzohydrazide Formula: C21H21ClN6O3 MolecularWeight: 440.88284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN6O3/c1-2-3-4-14-5-11-17(12-6-14)25-19-18(28(30)31)20(24-13-23-19)26-27-21(29)15-7-9-16(22)10-8-15/h5-13H,2-4H2,1H3,(H,27,29)(H2,23,24,25,26)