2-(6-nitro-1,3-benzothiazol-2-yl)benzoic acid

Systemtic Name: 2-(6-nitro-1,3-benzothiazol-2-yl)benzoic acid Openeye Name: 2-(6-nitro-1,3-benzothiazol-2-yl)benzoic acid CAS Name: 2-(6-nitro-1,3-benzothiazol-2-yl)benzoic acid IUPAC Name: 2-(6-nitro-1,3-benzothiazol-2-yl)benzoic acid Traditional Name: 2-(6-nitro-1,3-benzothiazol-2-yl)benzoic acid Formula: C14H8N2O4S MolecularWeight: 300.28932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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