2-[1-methyl-2,4-bis(oxidanylidene)-5-prop-2-enyl-pyrimidin-1-ium-1-yl]ethanoate; (phenylmethyl) carbamate

Systemtic Name: 2-[1-methyl-2,4-bis(oxidanylidene)-5-prop-2-enyl-pyrimidin-1-ium-1-yl]ethanoate; (phenylmethyl) carbamate Openeye Name: 2-(5-allyl-1-methyl-2,4-dioxo-pyrimidin-1-ium-1-yl)acetate; benzyl carbamate CAS Name: carbamic acid (phenylmethyl) ester; 2-(1-methyl-2,4-dioxo-5-prop-2-enyl-1-pyrimidin-1-iumyl)acetate IUPAC Name: benzyl carbamate; 2-(1-methyl-2,4-dioxo-5-prop-2-enylpyrimidin-1-ium-1-yl)acetate Traditional Name: 2-(5-allyl-2,4-diketo-1-methyl-pyrimidin-1-ium-1-yl)acetate; carbamic acid benzyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C(=O)NC1=O)CC=C)CC(=O)[O-].C1=CC=C(C=C1)COC(=O)N

Isomeric SMILES

C[N+]1(C=C(C(=O)NC1=O)CC=C)CC(=O)[O-].C1=CC=C(C=C1)COC(=O)N

InChI

InChI=1S/C10H12N2O4.C8H9NO2/c1-3-4-7-5-12(2,6-8(13)14)10(16)11-9(7)15;9-8(10)11-6-7-4-2-1-3-5-7/h3,5H,1,4,6H2,2H3,(H-,11,13,14,15,16);1-5H,6H2,(H2,9,10)