2-[[3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]benzamide

Systemtic Name: 2-[[3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]benzamide Openeye Name: 2-[[3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]benzamide CAS Name: 2-[[[3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]benzamide IUPAC Name: 2-[[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzoyl]amino]benzamide Traditional Name: 2-[[3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]benzamide Formula: C18H14BrN5O4 MolecularWeight: 444.23886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H14BrN5O4/c19-14-10-23(22-17(14)24(27)28)9-11-4-3-5-12(8-11)18(26)21-15-7-2-1-6-13(15)16(20)25/h1-8,10H,9H2,(H2,20,25)(H,21,26)