2-(azepan-1-yl)-N-(3-chloranyl-4-methyl-phenyl)-5-nitro-benzamide

Systemtic Name: 2-(azepan-1-yl)-N-(3-chloranyl-4-methyl-phenyl)-5-nitro-benzamide Openeye Name: 2-(azepan-1-yl)-N-(3-chloro-4-methyl-phenyl)-5-nitro-benzamide CAS Name: 2-(1-azepanyl)-N-(3-chloro-4-methylphenyl)-5-nitrobenzamide IUPAC Name: 2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-5-nitrobenzamide Traditional Name: 2-(azepan-1-yl)-N-(3-chloro-4-methyl-phenyl)-5-nitro-benzamide Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3)Cl

InChI

InChI=1S/C20H22ClN3O3/c1-14-6-7-15(12-18(14)21)22-20(25)17-13-16(24(26)27)8-9-19(17)23-10-4-2-3-5-11-23/h6-9,12-13H,2-5,10-11H2,1H3,(H,22,25)