3-[[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 3-[[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-[(4-nitrophenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[(5Z)-4-keto-5-(4-nitrobenzylidene)-2-thiazolin-2-yl]amino]benzoic acid Formula: C17H11N3O5S MolecularWeight: 369.35134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])S2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/S2)C(=O)O

InChI

InChI=1S/C17H11N3O5S/c21-15-14(8-10-4-6-13(7-5-10)20(24)25)26-17(19-15)18-12-3-1-2-11(9-12)16(22)23/h1-9H,(H,22,23)(H,18,19,21)/b14-8-