methyl 2-[2-(3,5-dinitrophenyl)carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(3,5-dinitrophenyl)carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3,5-dinitrobenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,5-dinitrophenyl)-oxomethyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3,5-dinitrobenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3,5-dinitrobenzoyl)imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H11FN4O7S MolecularWeight: 434.355243

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C17H11FN4O7S/c1-29-14(23)8-20-15-12(18)3-2-4-13(15)30-17(20)19-16(24)9-5-10(21(25)26)7-11(6-9)22(27)28/h2-7H,8H2,1H3