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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3,5-dinitro-benzamide Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5/c24-19(14-11-17(22(25)26)13-18(12-14)23(27)28)20-15-5-7-16(8-6-15)21-9-3-1-2-4-10-21/h5-8,11-13H,1-4,9-10H2,(H,20,24)