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

Systemtic Name: 4-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]butanamide Openeye Name: 4-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]butanamide CAS Name: 4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide IUPAC Name: 4-(5-methyl-3-nitropyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide Traditional Name: 4-(5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]butyramide 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)CCCN3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O6/c1-14-5-7-18(8-6-14)32-19-12-16(11-17(13-19)25(28)29)22-21(27)4-3-9-24-15(2)10-20(23-24)26(30)31/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,27)