4-(5-chloranyl-6-nitro-1,3-benzothiazol-2-yl)benzoic acid

Systemtic Name: 4-(5-chloranyl-6-nitro-1,3-benzothiazol-2-yl)benzoic acid Openeye Name: 4-(5-chloro-6-nitro-1,3-benzothiazol-2-yl)benzoic acid CAS Name: 4-(5-chloro-6-nitro-1,3-benzothiazol-2-yl)benzoic acid IUPAC Name: 4-(5-chloro-6-nitro-1,3-benzothiazol-2-yl)benzoic acid Traditional Name: 4-(5-chloro-6-nitro-1,3-benzothiazol-2-yl)benzoic acid Formula: C14H7ClN2O4S MolecularWeight: 334.73438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=CC(=C(C=C3S2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=CC(=C(C=C3S2)[N+](=O)[O-])Cl)C(=O)O

InChI

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