[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 3-nitrobenzoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 3-nitrobenzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O6/c1-15-11(7-12(18)16(2)14(15)20)8-23-13(19)9-4-3-5-10(6-9)17(21)22/h3-7H,8H2,1-2H3