2-(6-nitro-1,3-benzothiazol-2-yl)benzoate

Systemtic Name: 2-(6-nitro-1,3-benzothiazol-2-yl)benzoate Openeye Name: 2-(6-nitro-1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(6-nitro-1,3-benzothiazol-2-yl)benzoate IUPAC Name: 2-(6-nitro-1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(6-nitro-1,3-benzothiazol-2-yl)benzoate Formula: C14H7N2O4S- MolecularWeight: 299.28138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

InChI

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