2-[[4-[3-(4-nitrophenyl)propyl]phenyl]amino]benzoic acid

Systemtic Name: 2-[[4-[3-(4-nitrophenyl)propyl]phenyl]amino]benzoic acid Openeye Name: 2-[4-[3-(4-nitrophenyl)propyl]anilino]benzoic acid CAS Name: 2-[4-[3-(4-nitrophenyl)propyl]anilino]benzoic acid IUPAC Name: 2-[4-[3-(4-nitrophenyl)propyl]anilino]benzoic acid Traditional Name: 2-[4-[3-(4-nitrophenyl)propyl]anilino]benzoic acid Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)CCCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)CCCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O4/c25-22(26)20-6-1-2-7-21(20)23-18-12-8-16(9-13-18)4-3-5-17-10-14-19(15-11-17)24(27)28/h1-2,6-15,23H,3-5H2,(H,25,26)