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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]propionamide Formula: C16H14BrClN6O3 MolecularWeight: 453.67776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrClN6O3/c17-14-10-22(21-16(14)24(26)27)5-4-15(25)20-13-3-1-2-11(6-13)8-23-9-12(18)7-19-23/h1-3,6-7,9-10H,4-5,8H2,(H,20,25)