N5-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: N5-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O6/c1-31-18-10-13(16(26(29)30)12-19(18)32-2)8-9-23-21(28)15-11-17(20(22)27)25(24-15)14-6-4-3-5-7-14/h3-7,10,12,17H,8-9,11H2,1-2H3,(H2,22,27)(H,23,28)