5-nitro-2-[(4-phenethylphenyl)amino]benzoic acid

Systemtic Name: 5-nitro-2-[(4-phenethylphenyl)amino]benzoic acid Openeye Name: 5-nitro-2-(4-phenethylanilino)benzoic acid CAS Name: 5-nitro-2-(4-phenethylanilino)benzoic acid IUPAC Name: 5-nitro-2-(4-phenethylanilino)benzoic acid Traditional Name: 5-nitro-2-(4-phenethylanilino)benzoic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H18N2O4/c24-21(25)19-14-18(23(26)27)12-13-20(19)22-17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-14,22H,6-7H2,(H,24,25)