4-[[4-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(6-nitro-2-oxo-chromen-3-yl)thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[4-(6-nitro-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(2-keto-6-nitro-chromen-3-yl)thiazol-2-yl]amino]benzoic acid Formula: C19H11N3O6S MolecularWeight: 409.37214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C19H11N3O6S/c23-17(24)10-1-3-12(4-2-10)20-19-21-15(9-29-19)14-8-11-7-13(22(26)27)5-6-16(11)28-18(14)25/h1-9H,(H,20,21)(H,23,24)