N-[4-(diethylamino)phenyl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[4-(diethylamino)phenyl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[4-(diethylamino)phenyl]-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[4-(diethylamino)phenyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[4-(diethylamino)phenyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[4-(diethylamino)phenyl]-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C21H22FN5O4 MolecularWeight: 427.428883

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN5O4/c1-3-25(4-2)17-8-6-16(7-9-17)23-21(28)18-11-12-26(24-18)14-31-20-13-15(22)5-10-19(20)27(29)30/h5-13H,3-4,14H2,1-2H3,(H,23,28)