N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C20H20ClN3O5/c21-15-8-12(9-18-19(15)29-7-1-6-28-18)11-22-20(25)13-2-5-16(23-14-3-4-14)17(10-13)24(26)27/h2,5,8-10,14,23H,1,3-4,6-7,11H2,(H,22,25)