4-(azepan-1-yl)-N-[2,5-bis(chloranyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2,5-bis(chloranyl)phenyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2,5-dichlorophenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2,5-dichlorophenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2,5-dichlorophenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2,5-dichlorophenyl)-3-nitro-benzamide Formula: C19H19Cl2N3O3 MolecularWeight: 408.27846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19Cl2N3O3/c20-14-6-7-15(21)16(12-14)22-19(25)13-5-8-17(18(11-13)24(26)27)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10H2,(H,22,25)