[2-(azepan-1-ylcarbonyl)phenyl]-[4-(methylamino)-3-nitro-phenyl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

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