methyl 3-(benzotriazol-1-ylcarbonyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(benzotriazol-1-ylcarbonyl)-5-nitro-benzoate Openeye Name: methyl 3-(benzotriazole-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[1-benzotriazolyl(oxo)methyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(benzotriazole-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(benzotriazole-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C15H10N4O5 MolecularWeight: 326.2637

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O5/c1-24-15(21)10-6-9(7-11(8-10)19(22)23)14(20)18-13-5-3-2-4-12(13)16-17-18/h2-8H,1H3