N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-2-methyl-3-nitro-benzamide Formula: C19H13ClN6O4 MolecularWeight: 424.79732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H13ClN6O4/c1-11-14(6-3-7-16(11)26(29)30)18(27)23-24-10-21-17-15(19(24)28)9-22-25(17)13-5-2-4-12(20)8-13/h2-10H,1H3,(H,23,27)