N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-nitropyrazol-1-yl)propionamide Formula: C14H19BrN6O3 MolecularWeight: 399.24306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)CCN2C=C(C=N2)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)CCN2C=C(C=N2)[N+](=O)[O-])C)Br

InChI

InChI=1S/C14H19BrN6O3/c1-10-14(15)11(2)20(18-10)6-3-5-16-13(22)4-7-19-9-12(8-17-19)21(23)24/h8-9H,3-7H2,1-2H3,(H,16,22)