2-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid Formula: C15H8ClN3O5S MolecularWeight: 377.75912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C15H8ClN3O5S/c16-7-4-5-9-11(6-7)25-15(17-9)18-13(20)12-8(14(21)22)2-1-3-10(12)19(23)24/h1-6H,(H,21,22)(H,17,18,20)