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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]propionamide Formula: C21H21N5O7 MolecularWeight: 455.42074

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O7/c1-13-21(26(30)31)14(2)24(23-13)9-8-20(27)22-15-10-16(25(28)29)12-17(11-15)33-19-7-5-4-6-18(19)32-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,27)