4-(4-chloranyl-2-nitro-phenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine-1-carboxamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine-1-carboxamide Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H21ClN4O5/c21-14-5-6-16(17(11-14)25(27)28)23-7-9-24(10-8-23)20(26)22-12-15-13-29-18-3-1-2-4-19(18)30-15/h1-6,11,15H,7-10,12-13H2,(H,22,26)