[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C22H14ClN3O5S MolecularWeight: 467.88166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

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