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

Systemtic Name: (3-methoxycarbonylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (3-carbomethoxybenzyl) ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-26-17(22)13-4-2-3-12(9-13)11-27-18(23)15-10-14(20(24)25)5-6-16(15)19-7-8-21/h2-6,9-10,19,21H,7-8,11H2,1H3