3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]propanamide

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]propionamide Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3OC)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3OC)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C21H21ClN4O5/c1-13-21(22)14(2)25(24-13)9-8-20(27)23-15-10-16(26(28)29)12-17(11-15)31-19-7-5-4-6-18(19)30-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,27)