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

Systemtic Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: N'-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C17H19N7O5 MolecularWeight: 401.37666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7O5/c25-17(12-6-5-7-13(10-12)23(26)27)21-20-15-14(24(28)29)16(19-11-18-15)22-8-3-1-2-4-9-22/h5-7,10-11H,1-4,8-9H2,(H,21,25)(H,18,19,20)