ethyl 4-[[8-(2-ethoxy-2-oxidanylidene-ethyl)-5,5-dimethyl-6H-naphthalen-2-yl]diazenyl]benzoate

Systemtic Name: ethyl 4-[[8-(2-ethoxy-2-oxidanylidene-ethyl)-5,5-dimethyl-6H-naphthalen-2-yl]diazenyl]benzoate Openeye Name: ethyl 4-[[8-(2-ethoxy-2-oxo-ethyl)-5,5-dimethyl-6H-naphthalen-2-yl]azo]benzoate CAS Name: 4-[[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]azo]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[8-(2-ethoxy-2-oxoethyl)-5,5-dimethyl-6H-naphthalen-2-yl]diazenyl]benzoate Traditional Name: 4-[[8-(2-ethoxy-2-keto-ethyl)-5,5-dimethyl-6H-naphthalen-2-yl]azo]benzoic acid ethyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CCC(C2=C1C=C(C=C2)N=NC3=CC=C(C=C3)C(=O)OCC)(C)C

Isomeric SMILES

CCOC(=O)CC1=CCC(C2=C1C=C(C=C2)N=NC3=CC=C(C=C3)C(=O)OCC)(C)C

InChI

InChI=1S/C25H28N2O4/c1-5-30-23(28)15-18-13-14-25(3,4)22-12-11-20(16-21(18)22)27-26-19-9-7-17(8-10-19)24(29)31-6-2/h7-13,16H,5-6,14-15H2,1-4H3