1,3-benzothiazol-2-ylmethyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H14ClN3O5S MolecularWeight: 467.88166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H14ClN3O5S/c23-16-11-13(26(29)30)9-10-14(16)21(27)25-17-6-2-1-5-15(17)22(28)31-12-20-24-18-7-3-4-8-19(18)32-20/h1-11H,12H2,(H,25,27)