(3,5-dimethylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (3,5-dimethylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (3,5-dimethylbenzyl) ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C

InChI

InChI=1S/C18H20N2O5/c1-12-7-13(2)9-14(8-12)11-25-18(22)16-10-15(20(23)24)3-4-17(16)19-5-6-21/h3-4,7-10,19,21H,5-6,11H2,1-2H3