4-chloranyl-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: 4-chloranyl-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-N'-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C17H16ClN9O5 MolecularWeight: 461.81924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN9O5/c18-12-3-2-11(8-13(12)26(29)30)17(28)24-23-16-14(27(31)32)15(21-9-22-16)20-4-1-6-25-7-5-19-10-25/h2-3,5,7-10H,1,4,6H2,(H,24,28)(H2,20,21,22,23)