(3-methylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (3-methylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: m-tolylmethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (3-methylbenzyl) ester Formula: C17H18N2O5 MolecularWeight: 330.33522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-12-3-2-4-13(9-12)11-24-17(21)15-10-14(19(22)23)5-6-16(15)18-7-8-20/h2-6,9-10,18,20H,7-8,11H2,1H3