N-[4-(azepan-1-ylcarbonyl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-3-nitro-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-3-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(16-6-5-7-18(14-16)23(26)27)21-17-10-8-15(9-11-17)20(25)22-12-3-1-2-4-13-22/h5-11,14H,1-4,12-13H2,(H,21,24)