diethyl 2-[5-[6-(6-nitro-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioate

Systemtic Name: diethyl 2-[5-[6-(6-nitro-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioate Openeye Name: diethyl 2-[5-[[6-(6-nitro-1,3-benzoxazol-2-yl)-2-naphthyl]oxy]pentyl]propanedioate CAS Name: 2-[5-[[6-(6-nitro-1,3-benzoxazol-2-yl)-2-naphthalenyl]oxy]pentyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-[6-(6-nitro-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioate Traditional Name: 2-[5-[6-(6-nitro-1,3-benzoxazol-2-yl)-2-naphthoxy]pentyl]malonic acid diethyl ester Formula: C29H30N2O8 MolecularWeight: 534.5571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCOC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCCCOC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C29H30N2O8/c1-3-36-28(32)24(29(33)37-4-2)8-6-5-7-15-38-23-13-11-19-16-21(10-9-20(19)17-23)27-30-25-14-12-22(31(34)35)18-26(25)39-27/h9-14,16-18,24H,3-8,15H2,1-2H3