4-(azepan-1-yl)-N-(2,3-dimethylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2,3-dimethylphenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2,3-dimethylphenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2,3-dimethylphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2,3-dimethylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2,3-dimethylphenyl)-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-15-8-7-9-18(16(15)2)22-21(25)17-10-11-19(20(14-17)24(26)27)23-12-5-3-4-6-13-23/h7-11,14H,3-6,12-13H2,1-2H3,(H,22,25)