2-(2-hydroxyethyl)-5-[(4-nitrophenyl)methylamino]benzoic acid

Systemtic Name: 2-(2-hydroxyethyl)-5-[(4-nitrophenyl)methylamino]benzoic acid Openeye Name: 2-(2-hydroxyethyl)-5-[(4-nitrophenyl)methylamino]benzoic acid CAS Name: 2-(2-hydroxyethyl)-5-[(4-nitrophenyl)methylamino]benzoic acid IUPAC Name: 2-(2-hydroxyethyl)-5-[(4-nitrophenyl)methylamino]benzoic acid Traditional Name: 2-(2-hydroxyethyl)-5-[(4-nitrobenzyl)amino]benzoic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC(=C(C=C2)CCO)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC(=C(C=C2)CCO)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5/c19-8-7-12-3-4-13(9-15(12)16(20)21)17-10-11-1-5-14(6-2-11)18(22)23/h1-6,9,17,19H,7-8,10H2,(H,20,21)