6-[4-(2-bromanylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(2-bromanylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(2-bromophenoxy)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(2-bromophenoxy)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(2-bromophenoxy)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(2-bromophenoxy)-3-pyrazolin-3-ylidene]-3-(4-nitrobenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C22H16BrN3O5 MolecularWeight: 482.28354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=CNNC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)OC2=CNNC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C22H16BrN3O5/c23-18-3-1-2-4-20(18)31-21-12-24-25-22(21)17-10-9-16(11-19(17)27)30-13-14-5-7-15(8-6-14)26(28)29/h1-12,24-25H,13H2