N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[3-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-methoxy-3-nitro-benzamide Formula: C18H19F3N4O4 MolecularWeight: 412.36307

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCN2C(=CC(=N2)C(F)(F)F)C3CC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCN2C(=CC(=N2)C(F)(F)F)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19F3N4O4/c1-29-15-6-5-12(9-14(15)25(27)28)17(26)22-7-2-8-24-13(11-3-4-11)10-16(23-24)18(19,20)21/h5-6,9-11H,2-4,7-8H2,1H3,(H,22,26)