2,2-dimethylpropyl 4-(4-cyano-2-nitro-phenoxy)benzoate

Systemtic Name: 2,2-dimethylpropyl 4-(4-cyano-2-nitro-phenoxy)benzoate Openeye Name: 2,2-dimethylpropyl 4-(4-cyano-2-nitro-phenoxy)benzoate CAS Name: 4-(4-cyano-2-nitrophenoxy)benzoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-(4-cyano-2-nitrophenoxy)benzoate Traditional Name: 4-(4-cyano-2-nitro-phenoxy)benzoic acid neopentyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c1-19(2,3)12-25-18(22)14-5-7-15(8-6-14)26-17-9-4-13(11-20)10-16(17)21(23)24/h4-10H,12H2,1-3H3