4-[(4R)-1-methyl-4-(3-nitrophenyl)-2,5-bis(oxidanylidene)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid

Systemtic Name: 4-[(4R)-1-methyl-4-(3-nitrophenyl)-2,5-bis(oxidanylidene)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid Openeye Name: 4-[(4R)-1-methyl-4-(3-nitrophenyl)-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid CAS Name: 4-[(4R)-1-methyl-4-(3-nitrophenyl)-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid IUPAC Name: 4-[(4R)-1-methyl-4-(3-nitrophenyl)-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid Traditional Name: 4-[(4R)-2,5-diketo-1-methyl-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoic acid Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(NC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C2)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C2=C([C@H](NC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C2)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H16N4O6/c1-22-15-10-23(13-7-5-11(6-8-13)19(26)27)18(25)16(15)17(21-20(22)28)12-3-2-4-14(9-12)24(29)30/h2-9,17H,10H2,1H3,(H,21,28)(H,26,27)/t17-/m1/s1