1,3-benzothiazol-2-ylmethyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H13ClN2O5S MolecularWeight: 452.86702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H13ClN2O5S/c23-16-10-9-13(11-18(16)25(28)29)21(26)14-5-1-2-6-15(14)22(27)30-12-20-24-17-7-3-4-8-19(17)31-20/h1-11H,12H2