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

Systemtic Name: 4-chloranyl-N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[6-(hexadecylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[6-(hexadecylamino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C27H40ClN7O5 MolecularWeight: 578.1034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H40ClN7O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-25-24(35(39)40)26(31-20-30-25)32-33-27(36)21-16-17-22(28)23(19-21)34(37)38/h16-17,19-20H,2-15,18H2,1H3,(H,33,36)(H2,29,30,31,32)