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

Systemtic Name: 4-[[3-[(3-nitrophenyl)methylamino]phenyl]methylamino]benzoic acid Openeye Name: 4-[[3-[(3-nitrophenyl)methylamino]phenyl]methylamino]benzoic acid CAS Name: 4-[[3-[(3-nitrophenyl)methylamino]phenyl]methylamino]benzoic acid IUPAC Name: 4-[[3-[(3-nitrophenyl)methylamino]phenyl]methylamino]benzoic acid Traditional Name: 4-[[3-[(3-nitrobenzyl)amino]benzyl]amino]benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19N3O4/c25-21(26)17-7-9-18(10-8-17)22-13-15-3-1-5-19(11-15)23-14-16-4-2-6-20(12-16)24(27)28/h1-12,22-23H,13-14H2,(H,25,26)