4-(4-chloranyl-2-nitro-phenoxy)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenoxy)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4-(4-chloro-2-nitro-phenoxy)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4-(4-chloro-2-nitrophenoxy)-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4-(4-chloro-2-nitrophenoxy)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-N-[3-(2-ketoazepan-1-yl)propyl]benzamide Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O5/c23-17-8-11-20(19(15-17)26(29)30)31-18-9-6-16(7-10-18)22(28)24-12-4-14-25-13-3-1-2-5-21(25)27/h6-11,15H,1-5,12-14H2,(H,24,28)