2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]butanamide

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]butanamide Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]butanamide CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]butanamide IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]butanamide Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]butyramide Formula: C23H25N5O6 MolecularWeight: 467.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC(=CC(=C2C)C)C)[N+](=O)[O-])N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC(=CC(=C2C)C)C)[N+](=O)[O-])N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N5O6/c1-6-20(26-15(4)9-22(25-26)28(32)33)23(29)24-17-10-18(27(30)31)12-19(11-17)34-21-8-13(2)7-14(3)16(21)5/h7-12,20H,6H2,1-5H3,(H,24,29)