2-(5-chloranyl-1,3-benzothiazol-2-yl)-6-nitro-benzoic acid

Systemtic Name: 2-(5-chloranyl-1,3-benzothiazol-2-yl)-6-nitro-benzoic acid Openeye Name: 2-(5-chloro-1,3-benzothiazol-2-yl)-6-nitro-benzoic acid CAS Name: 2-(5-chloro-1,3-benzothiazol-2-yl)-6-nitrobenzoic acid IUPAC Name: 2-(5-chloro-1,3-benzothiazol-2-yl)-6-nitrobenzoic acid Traditional Name: 2-(5-chloro-1,3-benzothiazol-2-yl)-6-nitro-benzoic acid Formula: C14H7ClN2O4S MolecularWeight: 334.73438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H7ClN2O4S/c15-7-4-5-11-9(6-7)16-13(22-11)8-2-1-3-10(17(20)21)12(8)14(18)19/h1-6H,(H,18,19)