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

Systemtic Name: N'-[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c1-2-3-7-15-10-12-17(13-11-15)24-19-18(27(29)30)20(23-14-22-19)25-26-21(28)16-8-5-4-6-9-16/h4-6,8-14H,2-3,7H2,1H3,(H,26,28)(H2,22,23,24,25)