N-(3-chloranyl-2-methyl-phenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(3-chloro-2-methyl-phenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-(3-chloro-2-methylphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(3-chloro-2-methylphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (3-chloro-2-methyl-phenyl)-(1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)amine Formula: C14H10ClN3O4S MolecularWeight: 351.7649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10ClN3O4S/c1-8-11(15)3-2-4-12(8)16-14-10-6-5-9(18(19)20)7-13(10)23(21,22)17-14/h2-7H,1H3,(H,16,17)