N-(4-fluoranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(4-fluoranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(3-allyl-4-fluoro-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(3-allyl-4-fluoro-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C17H11FN4O5S MolecularWeight: 402.356443

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

C=CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C17H11FN4O5S/c1-2-6-20-15-13(18)4-3-5-14(15)28-17(20)19-16(23)10-7-11(21(24)25)9-12(8-10)22(26)27/h2-5,7-9H,1,6H2