1-(isocyanatomethyl)-4-methoxy-benzene; 2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoic acid

Systemtic Name: 1-(isocyanatomethyl)-4-methoxy-benzene; 2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoic acid Openeye Name: 1-(isocyanatomethyl)-4-methoxy-benzene; 2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)acetic acid CAS Name: 1-(isocyanatomethyl)-4-methoxybenzene; 2-(5-methyl-2,4-dioxo-1-pyrimidinyl)acetic acid IUPAC Name: 1-(isocyanatomethyl)-4-methoxybenzene; 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid Traditional Name: 2-(2,4-diketo-5-methyl-pyrimidin-1-yl)acetic acid; 1-(isocyanatomethyl)-4-methoxy-benzene Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC(=O)O.COC1=CC=C(C=C1)CN=C=O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CC(=O)O.COC1=CC=C(C=C1)CN=C=O

InChI

InChI=1S/C9H9NO2.C7H8N2O4/c1-12-9-4-2-8(3-5-9)6-10-7-11;1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2-5H,6H2,1H3;2H,3H2,1H3,(H,10,11)(H,8,12,13)