methyl 3-[6-(2-nitrophenyl)-1,2,4,5-tetrazin-3-yl]benzoate

Systemtic Name: methyl 3-[6-(2-nitrophenyl)-1,2,4,5-tetrazin-3-yl]benzoate Openeye Name: methyl 3-[6-(2-nitrophenyl)-1,2,4,5-tetrazin-3-yl]benzoate CAS Name: 3-[6-(2-nitrophenyl)-1,2,4,5-tetrazin-3-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[6-(2-nitrophenyl)-1,2,4,5-tetrazin-3-yl]benzoate Traditional Name: 3-[6-(2-nitrophenyl)-1,2,4,5-tetrazin-3-yl]benzoic acid methyl ester Formula: C16H11N5O4 MolecularWeight: 337.28964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=NN=C(N=N2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=NN=C(N=N2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O4/c1-25-16(22)11-6-4-5-10(9-11)14-17-19-15(20-18-14)12-7-2-3-8-13(12)21(23)24/h2-9H,1H3