6,7-dimethyl-2-(4-methylphenyl)-3-[3-(4-nitrophenoxy)propoxy]chromen-4-one

Systemtic Name: 6,7-dimethyl-2-(4-methylphenyl)-3-[3-(4-nitrophenoxy)propoxy]chromen-4-one Openeye Name: 6,7-dimethyl-3-[3-(4-nitrophenoxy)propoxy]-2-(p-tolyl)chromen-4-one CAS Name: 6,7-dimethyl-2-(4-methylphenyl)-3-[3-(4-nitrophenoxy)propoxy]-1-benzopyran-4-one IUPAC Name: 6,7-dimethyl-2-(4-methylphenyl)-3-[3-(4-nitrophenoxy)propoxy]chromen-4-one Traditional Name: 6,7-dimethyl-3-[3-(4-nitrophenoxy)propoxy]-2-(p-tolyl)chromone Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)C)OCCCOC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)C)OCCCOC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25NO6/c1-17-5-7-20(8-6-17)26-27(25(29)23-15-18(2)19(3)16-24(23)34-26)33-14-4-13-32-22-11-9-21(10-12-22)28(30)31/h5-12,15-16H,4,13-14H2,1-3H3