2-(1,3-benzothiazol-2-yl)-6-nitro-benzoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-6-nitro-benzoic acid Openeye Name: 2-(1,3-benzothiazol-2-yl)-6-nitro-benzoic acid CAS Name: 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoic acid IUPAC Name: 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoic acid Traditional Name: 2-(1,3-benzothiazol-2-yl)-6-nitro-benzoic acid Formula: C14H8N2O4S MolecularWeight: 300.28932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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