2-[5-cyano-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl 4-methylbenzoate

Systemtic Name: 2-[5-cyano-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl 4-methylbenzoate Openeye Name: 2-(5-cyano-2,4-dioxo-pyrimidin-1-yl)ethyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-(5-cyano-2,4-dioxo-1-pyrimidinyl)ethyl ester IUPAC Name: 2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-(5-cyano-2,4-diketo-pyrimidin-1-yl)ethyl ester Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCN2C=C(C(=O)NC2=O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCN2C=C(C(=O)NC2=O)C#N

InChI

InChI=1S/C15H13N3O4/c1-10-2-4-11(5-3-10)14(20)22-7-6-18-9-12(8-16)13(19)17-15(18)21/h2-5,9H,6-7H2,1H3,(H,17,19,21)