4-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethylamino]benzoic acid

Systemtic Name: 4-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethylamino]benzoic acid Openeye Name: 4-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethylamino]benzoic acid CAS Name: 4-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethylamino]benzoic acid IUPAC Name: 4-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethylamino]benzoic acid Traditional Name: 4-[2-[4-[(3-nitrobenzyl)amino]phenyl]ethylamino]benzoic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=C(C=C2)CCNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=C(C=C2)CCNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H21N3O4/c26-22(27)18-6-10-19(11-7-18)23-13-12-16-4-8-20(9-5-16)24-15-17-2-1-3-21(14-17)25(28)29/h1-11,14,23-24H,12-13,15H2,(H,26,27)