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

Systemtic Name: methyl 4-(1-methyl-6-oxidanylidene-5-phenyl-1,2,4,5-tetrazinan-3-yl)benzoate Openeye Name: methyl 4-(1-methyl-6-oxo-5-phenyl-1,2,4,5-tetrazinan-3-yl)benzoate CAS Name: 4-(1-methyl-6-oxo-5-phenyl-1,2,4,5-tetrazinan-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-methyl-6-oxo-5-phenyl-1,2,4,5-tetrazinan-3-yl)benzoate Traditional Name: 4-(6-keto-1-methyl-5-phenyl-1,2,4,5-tetrazinan-3-yl)benzoic acid methyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(NC(N1)C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)N(NC(N1)C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O3/c1-20-17(23)21(14-6-4-3-5-7-14)19-15(18-20)12-8-10-13(11-9-12)16(22)24-2/h3-11,15,18-19H,1-2H3