N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-(1-phenylpyrazol-4-yl)ethanamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-(1-phenylpyrazol-4-yl)ethanamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-(1-phenyl-4-pyrazolyl)acetamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O5/c1-29-19-11-16(18(25(27)28)12-20(19)30-2)8-9-22-21(26)10-15-13-23-24(14-15)17-6-4-3-5-7-17/h3-7,11-14H,8-10H2,1-2H3,(H,22,26)