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

Systemtic Name: 4-(cyclopropylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitro-benzamide Formula: C19H19N3O5 MolecularWeight: 369.37126

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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-])OC1

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5/c23-19(21-14-5-7-17-18(11-14)27-9-1-8-26-17)12-2-6-15(20-13-3-4-13)16(10-12)22(24)25/h2,5-7,10-11,13,20H,1,3-4,8-9H2,(H,21,23)