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

Systemtic Name: 4-chloranyl-N'-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[6-(3-methoxypropylamino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-N'-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C15H16ClN7O6 MolecularWeight: 425.78384

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H16ClN7O6/c1-29-6-2-5-17-13-12(23(27)28)14(19-8-18-13)20-21-15(24)9-3-4-10(16)11(7-9)22(25)26/h3-4,7-8H,2,5-6H2,1H3,(H,21,24)(H2,17,18,19,20)