N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-[(3-methyl-4-nitro-phenoxy)methyl]benzamide

Systemtic Name: N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-[(3-methyl-4-nitro-phenoxy)methyl]benzamide Openeye Name: N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-[(3-methyl-4-nitro-phenoxy)methyl]benzamide CAS Name: N-[1-(2-ethyl-3-pyrazolyl)ethyl]-3-[(3-methyl-4-nitrophenoxy)methyl]benzamide IUPAC Name: N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-[(3-methyl-4-nitrophenoxy)methyl]benzamide Traditional Name: N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-[(3-methyl-4-nitro-phenoxy)methyl]benzamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(C)NC(=O)C2=CC(=CC=C2)COC3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=CC=N1)C(C)NC(=O)C2=CC(=CC=C2)COC3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O4/c1-4-25-21(10-11-23-25)16(3)24-22(27)18-7-5-6-17(13-18)14-30-19-8-9-20(26(28)29)15(2)12-19/h5-13,16H,4,14H2,1-3H3,(H,24,27)