N-[2-(azepan-1-ylcarbonyl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-3,5-dinitro-benzamide Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c25-19(14-11-15(23(27)28)13-16(12-14)24(29)30)21-18-8-4-3-7-17(18)20(26)22-9-5-1-2-6-10-22/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,21,25)