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

Systemtic Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-chloranyl-3-nitro-benzohydrazide Openeye Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: N'-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-4-chloro-3-nitrobenzohydrazide IUPAC Name: N'-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-4-chloro-3-nitrobenzohydrazide Traditional Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C17H18ClN7O5 MolecularWeight: 435.82172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN7O5/c18-12-6-5-11(9-13(12)24(27)28)17(26)22-21-15-14(25(29)30)16(20-10-19-15)23-7-3-1-2-4-8-23/h5-6,9-10H,1-4,7-8H2,(H,22,26)(H,19,20,21)