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

Systemtic Name: 4-chloranyl-N'-[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[6-(cyclopentylamino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-N'-[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C16H16ClN7O5 MolecularWeight: 421.79514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN7O5/c17-11-6-5-9(7-12(11)23(26)27)16(25)22-21-15-13(24(28)29)14(18-8-19-15)20-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,22,25)(H2,18,19,20,21)