N-[4-[2,5-bis(fluoranyl)phenyl]-1,3-thiazol-2-yl]-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[4-[2,5-bis(fluoranyl)phenyl]-1,3-thiazol-2-yl]-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-[4-(2,5-difluorophenyl)thiazol-2-yl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[4-(2,5-difluorophenyl)-2-thiazolyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[4-(2,5-difluorophenyl)thiazol-2-yl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C19H15F2N3O5S MolecularWeight: 435.401306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)F)F)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)F)F)OC

InChI

InChI=1S/C19H15F2N3O5S/c1-3-29-17-8-15(24(26)27)12(7-16(17)28-2)18(25)23-19-22-14(9-30-19)11-6-10(20)4-5-13(11)21/h4-9H,3H2,1-2H3,(H,22,23,25)