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

Systemtic Name: 4-chloranyl-N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[6-(cycloheptylamino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C18H20ClN7O5 MolecularWeight: 449.8483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN7O5/c19-13-8-7-11(9-14(13)25(28)29)18(27)24-23-17-15(26(30)31)16(20-10-21-17)22-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H,24,27)(H2,20,21,22,23)