1-chloranyl-2-methyl-1-(4-nitrophenyl)-1,2-benzothiazol-3-one

Systemtic Name: 1-chloranyl-2-methyl-1-(4-nitrophenyl)-1,2-benzothiazol-3-one Openeye Name: 1-chloro-2-methyl-1-(4-nitrophenyl)-1,2-benzothiazol-3-one CAS Name: 1-chloro-2-methyl-1-(4-nitrophenyl)-1,2-benzothiazol-3-one IUPAC Name: 1-chloro-2-methyl-1-(4-nitrophenyl)-1,2-benzothiazol-3-one Traditional Name: 1-chloro-2-methyl-1-(4-nitrophenyl)-1,2-benzothiazol-3-one Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2S1(C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2S1(C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN2O3S/c1-16-14(18)12-4-2-3-5-13(12)21(16,15)11-8-6-10(7-9-11)17(19)20/h2-9H,1H3