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

Systemtic Name: 4-(azepan-1-yl)-N-(4-methyl-2-oxidanyl-phenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-hydroxy-4-methyl-phenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-hydroxy-4-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-hydroxy-4-methylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-hydroxy-4-methyl-phenyl)-3-nitro-benzamide Formula: C20H23N3O4 MolecularWeight: 369.41432

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-14-6-8-16(19(24)12-14)21-20(25)15-7-9-17(18(13-15)23(26)27)22-10-4-2-3-5-11-22/h6-9,12-13,24H,2-5,10-11H2,1H3,(H,21,25)