[3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-(3-nitrophenyl)prop-2-enoate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-(3-nitrophenyl)prop-2-enoate CAS Name: 3-(3-nitrophenyl)-2-propenoic acid [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-(3-nitrophenyl)prop-2-enoate Traditional Name: 3-(3-nitrophenyl)acrylic acid [3-(4-tert-butylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H22F3NO7 MolecularWeight: 553.48269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C29H22F3NO7/c1-28(2,3)18-8-10-20(11-9-18)39-26-25(35)22-13-12-21(16-23(22)40-27(26)29(30,31)32)38-24(34)14-7-17-5-4-6-19(15-17)33(36)37/h4-16H,1-3H3