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

Systemtic Name: 2-(5-chloranyl-1,3-benzothiazol-2-yl)-5-nitro-benzoic acid Openeye Name: 2-(5-chloro-1,3-benzothiazol-2-yl)-5-nitro-benzoic acid CAS Name: 2-(5-chloro-1,3-benzothiazol-2-yl)-5-nitrobenzoic acid IUPAC Name: 2-(5-chloro-1,3-benzothiazol-2-yl)-5-nitrobenzoic acid Traditional Name: 2-(5-chloro-1,3-benzothiazol-2-yl)-5-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/c15-7-1-4-12-11(5-7)16-13(22-12)9-3-2-8(17(20)21)6-10(9)14(18)19/h1-6H,(H,18,19)