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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N4O6/c1-15(21(27)23-16-5-4-6-17(13-16)26(29)30)24-9-11-25(12-10-24)22(28)20-14-31-18-7-2-3-8-19(18)32-20/h2-8,13,15,20H,9-12,14H2,1H3,(H,23,27)