2-(4-nitrophenyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-(4-nitrophenyl)-1,3-benzothiazole-6-carboxylate Openeye Name: 2-(4-nitrophenyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(4-nitrophenyl)-1,3-benzothiazole-6-carboxylate IUPAC Name: 2-(4-nitrophenyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-nitrophenyl)-1,3-benzothiazole-6-carboxylate Formula: C14H7N2O4S- MolecularWeight: 299.28138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)C(=O)[O-])[N+](=O)[O-]

InChI

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