(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(ethylamino)-3-nitro-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2C)C(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2C)C(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O4/c1-7-23-19-9-8-16(12-20(19)24(26)27)21(25)28-13-18-14(2)10-17(11-15(18)3)22(4,5)6/h8-12,23H,7,13H2,1-6H3