3-nitro-N'-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]benzohydrazide

Systemtic Name: 3-nitro-N'-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 3-nitro-N'-[5-nitro-6-(propan-2-ylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-nitro-N'-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C14H15N7O5 MolecularWeight: 361.3128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=NC=N1)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C(=NC=N1)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N7O5/c1-8(2)17-12-11(21(25)26)13(16-7-15-12)18-19-14(22)9-4-3-5-10(6-9)20(23)24/h3-8H,1-2H3,(H,19,22)(H2,15,16,17,18)