N-[4-(azepan-1-ylcarbonyl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(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=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O6/c25-19(15-11-17(23(27)28)13-18(12-15)24(29)30)21-16-7-5-14(6-8-16)20(26)22-9-3-1-2-4-10-22/h5-8,11-13H,1-4,9-10H2,(H,21,25)