1-cyanoethyl 4-tert-butyl-3-nitro-benzoate

Systemtic Name: 1-cyanoethyl 4-tert-butyl-3-nitro-benzoate Openeye Name: 1-cyanoethyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid 1-cyanoethyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C=C1)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C#N)OC(=O)C1=CC(=C(C=C1)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O4/c1-9(8-15)20-13(17)10-5-6-11(14(2,3)4)12(7-10)16(18)19/h5-7,9H,1-4H3