N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[4-(2-nitrophenyl)-1-piperazinyl]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-nitrophenyl)piperazino]propionamide Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6/c1-15(25-8-10-26(11-9-25)17-4-2-3-5-18(17)27(30)31)21(28)24-22(29)23-16-6-7-19-20(14-16)33-13-12-32-19/h2-7,14-15H,8-13H2,1H3,(H2,23,24,28,29)