(2-methoxy-5-methyl-phenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-12-3-6-17(25-2)13(9-12)11-26-18(22)15-10-14(20(23)24)4-5-16(15)19-7-8-21/h3-6,9-10,19,21H,7-8,11H2,1-2H3