N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-nitrophenyl)piperazine-1-carboxamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N4O5/c26-21(22-8-7-16-5-6-19-20(15-16)30-14-13-29-19)24-11-9-23(10-12-24)17-3-1-2-4-18(17)25(27)28/h1-6,15H,7-14H2,(H,22,26)