N-(2-bromophenyl)-2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide

Systemtic Name: N-(2-bromophenyl)-2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: N-(2-bromophenyl)-2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-(2-bromophenyl)-2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: N-(2-bromophenyl)-2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Formula: C19H13BrN6O4 MolecularWeight: 469.24832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])Br

InChI

InChI=1S/C19H13BrN6O4/c20-13-5-1-2-6-14(13)23-17(27)10-24-11-21-18-12(19(24)28)9-22-25(18)15-7-3-4-8-16(15)26(29)30/h1-9,11H,10H2,(H,23,27)