2-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]acetic acid CAS Name: 2-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]acetic acid IUPAC Name: 2-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[(6-nitro-1,3-benzothiazol-2-yl)amino]phenyl]acetic acid Formula: C15H11N3O4S MolecularWeight: 329.33054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O4S/c19-14(20)7-9-1-3-10(4-2-9)16-15-17-12-6-5-11(18(21)22)8-13(12)23-15/h1-6,8H,7H2,(H,16,17)(H,19,20)