2-chloranyl-N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: 2-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: 2-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C16H14ClN3O4S/c1-16(2)6-11-13(12(21)7-16)25-15(18-11)19-14(22)9-4-3-8(20(23)24)5-10(9)17/h3-5H,6-7H2,1-2H3,(H,18,19,22)