6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-(4-nitrobenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=CNC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=CNC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H21N3O6/c1-32-23-10-5-17(11-24(23)33-2)21-13-26-15-27-25(21)20-9-8-19(12-22(20)29)34-14-16-3-6-18(7-4-16)28(30)31/h3-13,15H,14H2,1-2H3,(H,26,27)