6-[5-(2-bromanylphenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[5-(2-bromanylphenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C(=C2C(=CN=CN2)OC3=CC=CC=C3Br)C=C1

Isomeric SMILES

CCOC1=CC(=O)C(=C2C(=CN=CN2)OC3=CC=CC=C3Br)C=C1

InChI

InChI=1S/C18H15BrN2O3/c1-2-23-12-7-8-13(15(22)9-12)18-17(10-20-11-21-18)24-16-6-4-3-5-14(16)19/h3-11H,2H2,1H3,(H,20,21)