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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])CN3C=C(C=N3)Br

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])CN3C=C(C=N3)Br

InChI

InChI=1S/C16H15BrN6O3/c17-13-7-18-22(10-13)9-12-2-1-3-14(6-12)20-16(24)4-5-21-11-15(8-19-21)23(25)26/h1-3,6-8,10-11H,4-5,9H2,(H,20,24)