4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-nitro-5-phenoxy-phenyl)butanamide

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-nitro-5-phenoxy-phenyl)butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-nitro-5-phenoxy-phenyl)butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(3-nitro-5-phenoxyphenyl)butanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-nitro-5-phenoxy-phenyl)butyramide Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC(=CC(=C2)OC3=CC=CC=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6/c1-14-21(26(30)31)15(2)24(23-14)10-6-9-20(27)22-16-11-17(25(28)29)13-19(12-16)32-18-7-4-3-5-8-18/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,22,27)