3-(3-nitropyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=CC(=N3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=CC(=N3)[N+](=O)[O-])C)C

InChI

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