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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]propionamide Formula: C16H14Br2N6O4 MolecularWeight: 514.12816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)Br

Isomeric SMILES

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)Br

InChI

InChI=1S/C16H14Br2N6O4/c17-11-1-3-13(4-2-11)28-10-23-8-12(7-19-23)20-15(25)5-6-22-9-14(18)16(21-22)24(26)27/h1-4,7-9H,5-6,10H2,(H,20,25)