N-[2-(azepan-1-ylcarbonyl)phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-methyl-3-nitro-benzamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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