methyl 4-(6-oxidanylidene-1,5-diphenyl-1,2,4$l^{2},5-tetrazin-3-yl)benzoate

Systemtic Name: methyl 4-(6-oxidanylidene-1,5-diphenyl-1,2,4$l^{2},5-tetrazin-3-yl)benzoate Openeye Name: methyl 4-(6-oxo-1,5-diphenyl-1,2,4$l^{2},5-tetrazin-3-yl)benzoate CAS Name: 4-(6-oxo-1,5-diphenyl-1,2,4$l^{2},5-tetrazin-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-oxo-1,5-diphenyl-1,2,4$l^{2},5-tetrazin-3-yl)benzoate Traditional Name: 4-(6-keto-1,5-diphenyl-1,2,4$l^{2},5-tetrazin-3-yl)benzoic acid methyl ester Formula: C22H17N4O3 MolecularWeight: 385.39538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN(C(=O)N([N]2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN(C(=O)N([N]2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N4O3/c1-29-21(27)17-14-12-16(13-15-17)20-23-25(18-8-4-2-5-9-18)22(28)26(24-20)19-10-6-3-7-11-19/h2-15H,1H3