N-(4-butylphenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(4-butylphenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(4-butylphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-(4-butylphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(4-butylphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (4-butylphenyl)-(1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)amine Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-2-3-4-12-5-7-13(8-6-12)18-17-15-10-9-14(20(21)22)11-16(15)25(23,24)19-17/h5-11H,2-4H2,1H3,(H,18,19)