N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-2-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C17H17BrN6O5 MolecularWeight: 465.25808

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN6O5/c1-11(23-9-15(24(26)27)17(21-23)28-2)16(25)20-13-7-19-22(8-13)10-29-14-5-3-12(18)4-6-14/h3-9,11H,10H2,1-2H3,(H,20,25)