diethyl 2-[3-[3-(6-nitro-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioate

Systemtic Name: diethyl 2-[3-[3-(6-nitro-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioate Openeye Name: diethyl 2-[3-[[3-(6-nitro-1,3-benzoxazol-2-yl)-2-naphthyl]oxy]propyl]propanedioate CAS Name: 2-[3-[[3-(6-nitro-1,3-benzoxazol-2-yl)-2-naphthalenyl]oxy]propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[3-(6-nitro-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypropyl]propanedioate Traditional Name: 2-[3-[3-(6-nitro-1,3-benzoxazol-2-yl)-2-naphthoxy]propyl]malonic acid diethyl ester Formula: C27H26N2O8 MolecularWeight: 506.50394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCOC1=CC2=CC=CC=C2C=C1C3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCOC1=CC2=CC=CC=C2C=C1C3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C27H26N2O8/c1-3-34-26(30)20(27(31)35-4-2)10-7-13-36-23-15-18-9-6-5-8-17(18)14-21(23)25-28-22-12-11-19(29(32)33)16-24(22)37-25/h5-6,8-9,11-12,14-16,20H,3-4,7,10,13H2,1-2H3