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

Systemtic Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]benzoic acid Openeye Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]benzoic acid CAS Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]benzoic acid IUPAC Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]benzoic acid Traditional Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]benzoic acid Formula: C14H9N3O4S MolecularWeight: 315.30396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O4S/c18-13(19)8-1-3-9(4-2-8)15-14-16-11-6-5-10(17(20)21)7-12(11)22-14/h1-7H,(H,15,16)(H,18,19)