2-[[(4-chloranyl-1,3-benzothiazol-2-yl)amino]carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[[(4-chloranyl-1,3-benzothiazol-2-yl)amino]carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[[(4-chloro-1,3-benzothiazol-2-yl)amino]carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[(4-chloro-1,3-benzothiazol-2-yl)hydrazo]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[[(4-chloro-1,3-benzothiazol-2-yl)amino]carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[[(4-chloro-1,3-benzothiazol-2-yl)amino]carbamoyl]-3-nitro-benzoic acid Formula: C15H9ClN4O5S MolecularWeight: 392.77376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)NNC2=NC3=C(S2)C=CC=C3Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)NNC2=NC3=C(S2)C=CC=C3Cl)C(=O)O

InChI

InChI=1S/C15H9ClN4O5S/c16-8-4-2-6-10-12(8)17-15(26-10)19-18-13(21)11-7(14(22)23)3-1-5-9(11)20(24)25/h1-6H,(H,17,19)(H,18,21)(H,22,23)