1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(3-nitrophenyl)ethyl]-1,3-dimethyl-xanthine Formula: C15H13N5O5 MolecularWeight: 343.29422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O5/c1-17-13-12(14(22)18(2)15(17)23)19(8-16-13)7-11(21)9-4-3-5-10(6-9)20(24)25/h3-6,8H,7H2,1-2H3