tert-butyl N-methyl-N-phenethyl-carbamate; tert-butyl 3-nitrobenzoate

Systemtic Name: tert-butyl N-methyl-N-phenethyl-carbamate; tert-butyl 3-nitrobenzoate Openeye Name: tert-butyl N-methyl-N-phenethyl-carbamate; tert-butyl 3-nitrobenzoate CAS Name: N-methyl-N-phenethylcarbamic acid tert-butyl ester; 3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-phenethylcarbamate; tert-butyl 3-nitrobenzoate Traditional Name: N-methyl-N-phenethyl-carbamic acid tert-butyl ester; 3-nitrobenzoic acid tert-butyl ester Formula: C25H34N2O6 MolecularWeight: 458.54726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC=C1)[N+](=O)[O-].CC(C)(C)OC(=O)N(C)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)[N+](=O)[O-].CC(C)(C)OC(=O)N(C)CCC1=CC=CC=C1

InChI

InChI=1S/C14H21NO2.C11H13NO4/c1-14(2,3)17-13(16)15(4)11-10-12-8-6-5-7-9-12;1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h5-9H,10-11H2,1-4H3;4-7H,1-3H3