[3,5-bis(oxidanylidene)-1,2,4-triazinan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [3,5-bis(oxidanylidene)-1,2,4-triazinan-2-yl]methyl 4-methylbenzoate Openeye Name: (3,5-dioxo-1,2,4-triazinan-2-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid (3,5-dioxo-1,2,4-triazinan-2-yl)methyl ester IUPAC Name: (3,5-dioxo-1,2,4-triazinan-2-yl)methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3,5-diketo-1,2,4-triazinan-2-yl)methyl ester Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCN2C(=O)NC(=O)CN2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCN2C(=O)NC(=O)CN2

InChI

InChI=1S/C12H13N3O4/c1-8-2-4-9(5-3-8)11(17)19-7-15-12(18)14-10(16)6-13-15/h2-5,13H,6-7H2,1H3,(H,14,16,18)