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

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]butyramide Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N5O6/c1-14-6-8-19(9-7-14)33-20-12-17(11-18(13-20)26(29)30)23-21(28)5-4-10-25-16(3)22(27(31)32)15(2)24-25/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,28)