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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyramide Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-10-16(20(22)23)11(2)19(18-10)7-3-4-15(21)17-12-5-6-13-14(8-12)25-9-24-13/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,21)