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

Systemtic Name: 4-methoxy-3-[[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzaldehyde Openeye Name: 4-methoxy-3-[[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzaldehyde CAS Name: 4-methoxy-3-[[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzaldehyde Traditional Name: 3-[[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]methyl]-4-methoxy-benzaldehyde Formula: C20H15N5O5 MolecularWeight: 405.3636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O5/c1-30-18-7-6-13(11-26)8-14(18)10-23-12-21-19-15(20(23)27)9-22-24(19)16-4-2-3-5-17(16)25(28)29/h2-9,11-12H,10H2,1H3