N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H18FN5O4 MolecularWeight: 399.375723

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18FN5O4/c1-3-23(10-13-4-7-18(29-2)15(20)8-13)19(26)14-5-6-16(17(9-14)25(27)28)24-12-21-11-22-24/h4-9,11-12H,3,10H2,1-2H3