N-[4-(azepan-1-ylcarbonyl)phenyl]-2-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-2-nitro-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-2-nitro-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-2-nitrobenzamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-2-nitro-benzamide Formula: C20H21N3O4 MolecularWeight: 367.39844

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c24-19(17-7-3-4-8-18(17)23(26)27)21-16-11-9-15(10-12-16)20(25)22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-14H2,(H,21,24)