N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propionamide Formula: C16H15BrN6O4 MolecularWeight: 435.2321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN(N=C1)COC2=CC=C(C=C2)Br)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CN(N=C1)COC2=CC=C(C=C2)Br)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN6O4/c1-11(22-9-14(7-19-22)23(25)26)16(24)20-13-6-18-21(8-13)10-27-15-4-2-12(17)3-5-15/h2-9,11H,10H2,1H3,(H,20,24)