3-azanyl-4-[3-[3-(1,3-dioxolan-2-yl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[3-[3-(1,3-dioxolan-2-yl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-[3-(1,3-dioxolan-2-yl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-[3-(1,3-dioxolan-2-yl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-[3-(1,3-dioxolan-2-yl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-[3-(1,3-dioxolan-2-yl)phenoxy]propylamino]cyclobut-3-ene-1,2-quinone Formula: C16H18N2O5 MolecularWeight: 318.32452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

Isomeric SMILES

C1COC(O1)C2=CC(=CC=C2)OCCCNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C16H18N2O5/c17-12-13(15(20)14(12)19)18-5-2-6-21-11-4-1-3-10(9-11)16-22-7-8-23-16/h1,3-4,9,16,18H,2,5-8,17H2