1,3-dimethyl-5-[(2-nitrophenyl)methyl]-2,6-bis(oxidanylidene)pyrimidin-4-olate

Systemtic Name: 1,3-dimethyl-5-[(2-nitrophenyl)methyl]-2,6-bis(oxidanylidene)pyrimidin-4-olate Openeye Name: 1,3-dimethyl-5-[(2-nitrophenyl)methyl]-2,6-dioxo-pyrimidin-4-olate CAS Name: 1,3-dimethyl-5-[(2-nitrophenyl)methyl]-2,6-dioxo-4-pyrimidinolate IUPAC Name: 1,3-dimethyl-5-[(2-nitrophenyl)methyl]-2,6-dioxopyrimidin-4-olate Traditional Name: 2,6-diketo-1,3-dimethyl-5-(2-nitrobenzyl)pyrimidin-4-olate Formula: C13H12N3O5- MolecularWeight: 290.25148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)CC2=CC=CC=C2[N+](=O)[O-])[O-]

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)CC2=CC=CC=C2[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H13N3O5/c1-14-11(17)9(12(18)15(2)13(14)19)7-8-5-3-4-6-10(8)16(20)21/h3-6,17H,7H2,1-2H3/p-1