2-[(4-nitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[(4-nitrophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[(4-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid Formula: C15H9N3O5S MolecularWeight: 343.31406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

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