[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H19N3O5/c23-19(18-13-26-16-3-1-2-4-17(16)27-18)21-11-9-20(10-12-21)14-5-7-15(8-6-14)22(24)25/h1-8,18H,9-13H2/t18-/m0/s1