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

Systemtic Name: 6-nitro-1,1-bis(oxidanylidene)-N-pentan-3-yl-1,2-benzothiazol-3-amine Openeye Name: N-(1-ethylpropyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: 6-nitro-1,1-dioxo-N-pentan-3-yl-1,2-benzothiazol-3-amine IUPAC Name: 6-nitro-1,1-dioxo-N-pentan-3-yl-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)-(1-ethylpropyl)amine Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4S/c1-3-8(4-2)13-12-10-6-5-9(15(16)17)7-11(10)20(18,19)14-12/h5-8H,3-4H2,1-2H3,(H,13,14)