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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-nitro-benzoic acid Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-nitro-benzoic acid CAS Name: 2-(1,3-benzothiazol-2-yl)-5-nitrobenzoic acid IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-nitrobenzoic acid Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-nitro-benzoic acid Formula: C14H8N2O4S MolecularWeight: 300.28932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H8N2O4S/c17-14(18)10-7-8(16(19)20)5-6-9(10)13-15-11-3-1-2-4-12(11)21-13/h1-7H,(H,17,18)