(4-cyanophenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (4-cyanophenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C#N

InChI

InChI=1S/C17H15N3O5/c18-10-12-1-3-13(4-2-12)11-25-17(22)15-9-14(20(23)24)5-6-16(15)19-7-8-21/h1-6,9,19,21H,7-8,11H2