2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethoxy]benzoic acid CAS Name: 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethoxy]benzoic acid IUPAC Name: 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethoxy]benzoic acid Traditional Name: 2-[2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethoxy]benzoic acid Formula: C16H11N3O6S MolecularWeight: 373.34004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O6S/c20-14(8-25-12-4-2-1-3-10(12)15(21)22)18-16-17-11-6-5-9(19(23)24)7-13(11)26-16/h1-7H,8H2,(H,21,22)(H,17,18,20)