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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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