4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]benzamide

Systemtic Name: 4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]benzamide Openeye Name: 4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]benzamide CAS Name: 4-[[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxobutyl]amino]benzamide IUPAC Name: 4-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]benzamide Traditional Name: 4-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]benzamide Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4/c1-10-15(21(24)25)11(2)20(19-10)9-3-4-14(22)18-13-7-5-12(6-8-13)16(17)23/h5-8H,3-4,9H2,1-2H3,(H2,17,23)(H,18,22)