4-[[4-(4-nitrophenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(4-nitrophenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]methyl]benzoic acid Openeye Name: 4-[[2-anilino-4-(4-nitrophenyl)thiazol-3-ium-3-yl]methyl]benzoic acid CAS Name: 4-[[2-anilino-4-(4-nitrophenyl)-3-thiazol-3-iumyl]methyl]benzoic acid IUPAC Name: 4-[[2-anilino-4-(4-nitrophenyl)-1,3-thiazol-3-ium-3-yl]methyl]benzoic acid Traditional Name: 4-[[2-anilino-4-(4-nitrophenyl)thiazol-3-ium-3-yl]methyl]benzoic acid Formula: C23H18N3O4S+ MolecularWeight: 432.47172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H17N3O4S/c27-22(28)18-8-6-16(7-9-18)14-25-21(17-10-12-20(13-11-17)26(29)30)15-31-23(25)24-19-4-2-1-3-5-19/h1-13,15H,14H2,(H,27,28)/p+1