N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(4-nitropyrazol-1-yl)propionamide Formula: C16H15BrN6O3 MolecularWeight: 419.2327

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)CN2C=C(C=N2)Br)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)CN2C=C(C=N2)Br)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN6O3/c1-11(22-10-15(7-19-22)23(25)26)16(24)20-14-4-2-3-12(5-14)8-21-9-13(17)6-18-21/h2-7,9-11H,8H2,1H3,(H,20,24)