N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(cyclopropylamino)-3-nitro-benzamide Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O5/c20-13-9-17-18(28-7-1-6-27-17)10-15(13)22-19(24)11-2-5-14(21-12-3-4-12)16(8-11)23(25)26/h2,5,8-10,12,21H,1,3-4,6-7H2,(H,22,24)