N-methyl-6-nitro-1,1-bis(oxidanylidene)-N-(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine

Systemtic Name: N-methyl-6-nitro-1,1-bis(oxidanylidene)-N-(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine Openeye Name: N-(2-allyloxyethyl)-N-methyl-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-methyl-6-nitro-1,1-dioxo-N-(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine IUPAC Name: N-methyl-6-nitro-1,1-dioxo-N-(2-prop-2-enoxyethyl)-1,2-benzothiazol-3-amine Traditional Name: 2-allyloxyethyl-(1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)-methyl-amine Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOCC=C)C1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCOCC=C)C1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S/c1-3-7-21-8-6-15(2)13-11-5-4-10(16(17)18)9-12(11)22(19,20)14-13/h3-5,9H,1,6-8H2,2H3