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

Systemtic Name: N'-[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: N'-[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C21H21N7O5 MolecularWeight: 451.43534

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O5/c1-2-3-5-14-8-10-16(11-9-14)24-19-18(28(32)33)20(23-13-22-19)25-26-21(29)15-6-4-7-17(12-15)27(30)31/h4,6-13H,2-3,5H2,1H3,(H,26,29)(H2,22,23,24,25)