3-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylamino]benzoic acid

Systemtic Name: 3-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylamino]benzoic acid Openeye Name: 3-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylamino]benzoic acid CAS Name: 3-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylamino]benzoic acid IUPAC Name: 3-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylamino]benzoic acid Traditional Name: 3-[[3-ethoxy-4-(4-nitrobenzyl)oxy-benzyl]amino]benzoic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6/c1-2-30-22-12-17(14-24-19-5-3-4-18(13-19)23(26)27)8-11-21(22)31-15-16-6-9-20(10-7-16)25(28)29/h3-13,24H,2,14-15H2,1H3,(H,26,27)