methyl 4-(6-oxidanylidene-1,5-diphenyl-1,2,4,5-tetrazinan-3-yl)benzoate

Systemtic Name: methyl 4-(6-oxidanylidene-1,5-diphenyl-1,2,4,5-tetrazinan-3-yl)benzoate Openeye Name: methyl 4-(6-oxo-1,5-diphenyl-1,2,4,5-tetrazinan-3-yl)benzoate CAS Name: 4-(6-oxo-1,5-diphenyl-1,2,4,5-tetrazinan-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-oxo-1,5-diphenyl-1,2,4,5-tetrazinan-3-yl)benzoate Traditional Name: 4-(6-keto-1,5-diphenyl-1,2,4,5-tetrazinan-3-yl)benzoic acid methyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2NN(C(=O)N(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2NN(C(=O)N(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3/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/h2-15,20,23-24H,1H3