(4-azanyl-3-nitro-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methanone CAS Name: (4-amino-3-nitrophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]methanone Formula: C20H22N4O5 MolecularWeight: 398.41248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c21-16-3-2-15(12-17(16)24(26)27)20(25)23-7-5-22(6-8-23)13-14-1-4-18-19(11-14)29-10-9-28-18/h1-4,11-12H,5-10,13,21H2