methyl 2-[5-nitro-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]ethanoate

Systemtic Name: methyl 2-[5-nitro-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]ethanoate Openeye Name: methyl 2-(3-benzyl-5-nitro-2,6-dioxo-pyrimidin-1-yl)acetate CAS Name: 2-[5-nitro-2,6-dioxo-3-(phenylmethyl)-1-pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-(3-benzyl-5-nitro-2,6-dioxopyrimidin-1-yl)acetate Traditional Name: 2-(3-benzyl-2,6-diketo-5-nitro-pyrimidin-1-yl)acetic acid methyl ester Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O6/c1-23-12(18)9-16-13(19)11(17(21)22)8-15(14(16)20)7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3