4-chloranyl-2-[[2-(4-nitrophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[[2-(4-nitrophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-(4-nitrophenyl)-5-oxo-oxazol-4-ylidene]methylamino]benzoic acid CAS Name: 4-chloro-2-[[2-(4-nitrophenyl)-5-oxo-4-oxazolylidene]methylamino]benzoic acid IUPAC Name: 4-chloro-2-[[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methylamino]benzoic acid Traditional Name: 4-chloro-2-[[5-keto-2-(4-nitrophenyl)-2-oxazolin-4-ylidene]methylamino]benzoic acid Formula: C17H10ClN3O6 MolecularWeight: 387.7308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=CNC3=C(C=CC(=C3)Cl)C(=O)O)C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=CNC3=C(C=CC(=C3)Cl)C(=O)O)C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C17H10ClN3O6/c18-10-3-6-12(16(22)23)13(7-10)19-8-14-17(24)27-15(20-14)9-1-4-11(5-2-9)21(25)26/h1-8,19H,(H,22,23)