3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: 3-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-N-(2-nitrophenyl)propanamide IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-N-(2-nitrophenyl)propionamide Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N4O6/c27-21(23-16-5-1-2-6-17(16)26(29)30)9-10-24-11-13-25(14-12-24)22(28)20-15-31-18-7-3-4-8-19(18)32-20/h1-8,20H,9-15H2,(H,23,27)