methyl 2-[1-(4-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoate

Systemtic Name: methyl 2-[1-(4-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoate Openeye Name: methyl 2-[1-(4-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetate CAS Name: 2-[1-(4-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate Traditional Name: 2-[4-keto-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetic acid methyl ester Formula: C14H11N5O5 MolecularWeight: 329.26764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O5/c1-24-12(20)7-17-8-15-13-11(14(17)21)6-16-18(13)9-2-4-10(5-3-9)19(22)23/h2-6,8H,7H2,1H3