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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=CC=C(C=C2)C(=O)O)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCNC2=CC=C(C=C2)C(=O)O)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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