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

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C20H11ClN2O4S MolecularWeight: 410.83034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H11ClN2O4S/c21-15-11-12(23(25)26)9-10-13(15)20(24)27-17-7-3-1-5-14(17)19-22-16-6-2-4-8-18(16)28-19/h1-11H