ethyl 5-[2-(2-cyanoethoxy)ethoxy]-2-nitro-4-phenylmethoxy-benzoate

Systemtic Name: ethyl 5-[2-(2-cyanoethoxy)ethoxy]-2-nitro-4-phenylmethoxy-benzoate Openeye Name: ethyl 4-benzyloxy-5-[2-(2-cyanoethoxy)ethoxy]-2-nitro-benzoate CAS Name: 5-[2-(2-cyanoethoxy)ethoxy]-2-nitro-4-phenylmethoxybenzoic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-cyanoethoxy)ethoxy]-2-nitro-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-5-[2-(2-cyanoethoxy)ethoxy]-2-nitro-benzoic acid ethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=CC=C2)OCCOCCC#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=CC=C2)OCCOCCC#N

InChI

InChI=1S/C21H22N2O7/c1-2-28-21(24)17-13-19(29-12-11-27-10-6-9-22)20(14-18(17)23(25)26)30-15-16-7-4-3-5-8-16/h3-5,7-8,13-14H,2,6,10-12,15H2,1H3