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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-chloro-4-nitro-benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-chloro-4-nitro-benzamide Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c20-18-13-16(23(25)26)9-10-17(18)19(24)21-14-5-7-15(8-6-14)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,24)