2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid Formula: C15H8ClN3O5S MolecularWeight: 377.75912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)O

InChI

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