ethyl 2-[6-(3,5-dimethylphenyl)carbonyl-5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]but-3-enoate

Systemtic Name: ethyl 2-[6-(3,5-dimethylphenyl)carbonyl-5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]but-3-enoate Openeye Name: ethyl 2-[6-(3,5-dimethylbenzoyl)-5-ethyl-2,4-dioxo-pyrimidin-1-yl]but-3-enoate CAS Name: 2-[6-[(3,5-dimethylphenyl)-oxomethyl]-5-ethyl-2,4-dioxo-1-pyrimidinyl]-3-butenoic acid ethyl ester IUPAC Name: ethyl 2-[6-(3,5-dimethylbenzoyl)-5-ethyl-2,4-dioxopyrimidin-1-yl]but-3-enoate Traditional Name: 2-[6-(3,5-dimethylbenzoyl)-5-ethyl-2,4-diketo-pyrimidin-1-yl]but-3-enoic acid ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)C(C=C)C(=O)OCC)C(=O)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)C(C=C)C(=O)OCC)C(=O)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H24N2O5/c1-6-15-17(18(24)14-10-12(4)9-13(5)11-14)23(21(27)22-19(15)25)16(7-2)20(26)28-8-3/h7,9-11,16H,2,6,8H2,1,3-5H3,(H,22,25,27)