3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-(4-cyano-2-phenyl-3-pyrazolyl)propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(4-cyano-2-phenylpyrazol-3-yl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)propionamide Formula: C16H12BrN7O3 MolecularWeight: 430.21558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C#N)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C#N)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H12BrN7O3/c17-13-10-22(21-16(13)24(26)27)7-6-14(25)20-15-11(8-18)9-19-23(15)12-4-2-1-3-5-12/h1-5,9-10H,6-7H2,(H,20,25)