N-[2-(azepan-1-ylcarbonyl)phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-methyl-3-nitro-benzamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C21H23N3O4/c1-15-16(10-8-12-19(15)24(27)28)20(25)22-18-11-5-4-9-17(18)21(26)23-13-6-2-3-7-14-23/h4-5,8-12H,2-3,6-7,13-14H2,1H3,(H,22,25)