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

Systemtic Name: N-[4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[4-(3,4-difluorophenyl)thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[4-(3,4-difluorophenyl)-2-thiazolyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-[4-(3,4-difluorophenyl)thiazol-2-yl]-5-ethoxy-4-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)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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