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

Systemtic Name: N'-[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide Openeye Name: N'-[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide CAS Name: N'-[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]-4-nitrobenzohydrazide IUPAC Name: N'-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide Traditional Name: N'-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide Formula: C16H19N7O5 MolecularWeight: 389.36596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O5/c1-10(2)7-8-17-14-13(23(27)28)15(19-9-18-14)20-21-16(24)11-3-5-12(6-4-11)22(25)26/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H2,17,18,19,20)