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

Systemtic Name: 2-[(4-chloranyl-1,3-benzothiazol-2-yl)amino]-4-nitro-benzoic acid Openeye Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-4-nitro-benzoic acid CAS Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-4-nitrobenzoic acid IUPAC Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-4-nitrobenzoic acid Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)amino]-4-nitro-benzoic acid Formula: C14H8ClN3O4S MolecularWeight: 349.74902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(S2)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(S2)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H8ClN3O4S/c15-9-2-1-3-11-12(9)17-14(23-11)16-10-6-7(18(21)22)4-5-8(10)13(19)20/h1-6H,(H,16,17)(H,19,20)