(4-tert-butylphenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (4-tert-butylphenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (4-tert-butylbenzyl) ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-21(2,3)16-7-5-15(6-8-16)14-28-20(24)18-13-17(23(25)26)9-10-19(18)22-11-12-27-4/h5-10,13,22H,11-12,14H2,1-4H3