[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C19H16FN3O5S MolecularWeight: 417.410843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16FN3O5S/c20-13-9-8-12(10-15(13)23(26)27)21-17(24)11-28-19(25)7-3-6-18-22-14-4-1-2-5-16(14)29-18/h1-2,4-5,8-10H,3,6-7,11H2,(H,21,24)