N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)C(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)C(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O4/c1-15-11-16(2)13-19(12-15)29-10-9-23(3)21(26)20-7-8-24(22-20)17-5-4-6-18(14-17)25(27)28/h4-8,11-14H,9-10H2,1-3H3