methyl 5-methoxy-2-(3-nitrophenyl)carbonyl-1,2,3-triazole-4-carboperoxoate

Systemtic Name: methyl 5-methoxy-2-(3-nitrophenyl)carbonyl-1,2,3-triazole-4-carboperoxoate Openeye Name: methyl 5-methoxy-2-(3-nitrobenzoyl)triazole-4-carboperoxoate CAS Name: 5-methoxy-2-[(3-nitrophenyl)-oxomethyl]-4-triazolecarboperoxoic acid methyl ester IUPAC Name: methyl 5-methoxy-2-(3-nitrobenzoyl)triazole-4-carboperoxoate Traditional Name: 5-methoxy-2-(3-nitrobenzoyl)triazole-4-carboperoxoic acid methyl ester Formula: C12H10N4O7 MolecularWeight: 322.2304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(N=C1C(=O)OOC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=NN(N=C1C(=O)OOC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O7/c1-21-10-9(12(18)23-22-2)13-15(14-10)11(17)7-4-3-5-8(6-7)16(19)20/h3-6H,1-2H3