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methyl 4-[(5-nitro-6-oxidanylidene-1H-pyrimidin-4-yl)oxymethyl]benzoate

methyl 4-[(5-nitro-6-oxidanylidene-1H-pyrimidin-4-yl)oxymethyl]benzoate

Systemtic Name:methyl 4-[(5-nitro-6-oxidanylidene-1H-pyrimidin-4-yl)oxymethyl]benzoate
Openeye Name:methyl 4-[(5-nitro-6-oxo-1H-pyrimidin-4-yl)oxymethyl]benzoate
CAS Name:4-[(5-nitro-6-oxo-1H-pyrimidin-4-yl)oxymethyl]benzoic acid methyl ester
IUPAC Name:methyl 4-[(5-nitro-6-oxo-1H-pyrimidin-4-yl)oxymethyl]benzoate
Traditional Name:4-[(6-keto-5-nitro-1H-pyrimidin-4-yl)oxymethyl]benzoic acid methyl ester
Formula: C13H11N3O6
MolecularWeight: 305.24294
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=C(C(=O)NC=N2)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=C(C(=O)NC=N2)[N+](=O)[O-]


InChI

InChI=1S/C13H11N3O6/c1-21-13(18)9-4-2-8(3-5-9)6-22-12-10(16(19)20)11(17)14-7-15-12/h2-5,7H,6H2,1H3,(H,14,15,17)


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