N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[(4-bromo-2-ethyl-3-pyrazolyl)methyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[(4-bromo-2-ethylpyrazol-3-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-3-(3-nitropyrazol-1-yl)propionamide Formula: C12H15BrN6O3 MolecularWeight: 371.1899

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CNC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=C(C=N1)Br)CNC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H15BrN6O3/c1-2-18-10(9(13)7-15-18)8-14-12(20)4-6-17-5-3-11(16-17)19(21)22/h3,5,7H,2,4,6,8H2,1H3,(H,14,20)