2-(3-nitrophenyl)-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(3-nitrophenyl)-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-(3-nitrophenyl)-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-(3-nitrophenyl)-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-(3-nitrophenyl)-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-(3-nitrophenyl)-1,3-benzothiazole-6-carboxylic acid Formula: C14H8N2O4S MolecularWeight: 300.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C14H8N2O4S/c17-14(18)9-4-5-11-12(7-9)21-13(15-11)8-2-1-3-10(6-8)16(19)20/h1-7H,(H,17,18)