6-nitro-1,1-bis(oxidanylidene)-N-(phenylmethyl)-1,2-benzothiazol-3-amine

Systemtic Name: 6-nitro-1,1-bis(oxidanylidene)-N-(phenylmethyl)-1,2-benzothiazol-3-amine Openeye Name: N-benzyl-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: 6-nitro-1,1-dioxo-N-(phenylmethyl)-1,2-benzothiazol-3-amine IUPAC Name: N-benzyl-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: benzyl-(1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)amine Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S/c18-17(19)11-6-7-12-13(8-11)22(20,21)16-14(12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)