tert-butyl 4-(methylaminomethyl)-3-nitro-benzoate

Systemtic Name: tert-butyl 4-(methylaminomethyl)-3-nitro-benzoate Openeye Name: tert-butyl 4-(methylaminomethyl)-3-nitro-benzoate CAS Name: 4-(methylaminomethyl)-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(methylaminomethyl)-3-nitrobenzoate Traditional Name: 4-(methylaminomethyl)-3-nitro-benzoic acid tert-butyl ester Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-13(2,3)19-12(16)9-5-6-10(8-14-4)11(7-9)15(17)18/h5-7,14H,8H2,1-4H3