N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(5-methyl-4-nitro-pyrazol-1-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O6/c1-13-6-14(2)8-18(7-13)32-19-10-16(9-17(11-19)25(28)29)23-21(27)4-5-24-15(3)20(12-22-24)26(30)31/h6-12H,4-5H2,1-3H3,(H,23,27)