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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitro-phenyl]propionamide Formula: C21H21N5O6 MolecularWeight: 439.42134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N5O6/c1-13-6-4-5-7-19(13)32-18-11-16(10-17(12-18)25(28)29)22-20(27)8-9-24-15(3)21(26(30)31)14(2)23-24/h4-7,10-12H,8-9H2,1-3H3,(H,22,27)