2-(1,3-benzothiazol-2-ylcarbamoyl)-3-nitro-benzoate

Systemtic Name: 2-(1,3-benzothiazol-2-ylcarbamoyl)-3-nitro-benzoate Openeye Name: 2-(1,3-benzothiazol-2-ylcarbamoyl)-3-nitro-benzoate CAS Name: 2-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-3-nitrobenzoate IUPAC Name: 2-(1,3-benzothiazol-2-ylcarbamoyl)-3-nitrobenzoate Traditional Name: 2-(1,3-benzothiazol-2-ylcarbamoyl)-3-nitro-benzoate Formula: C15H8N3O5S- MolecularWeight: 342.30612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9N3O5S/c19-13(17-15-16-9-5-1-2-7-11(9)24-15)12-8(14(20)21)4-3-6-10(12)18(22)23/h1-7H,(H,20,21)(H,16,17,19)/p-1