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

Systemtic Name: [3-(4-ethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-(3-nitrophenyl)prop-2-enoate Openeye Name: [3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-(3-nitrophenyl)prop-2-enoate CAS Name: 3-(3-nitrophenyl)-2-propenoic acid [3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-(3-nitrophenyl)prop-2-enoate Traditional Name: 3-(3-nitrophenyl)acrylic acid [3-(4-ethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H18F3NO7 MolecularWeight: 525.42953

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C27H18F3NO7/c1-2-16-6-9-19(10-7-16)37-25-24(33)21-12-11-20(15-22(21)38-26(25)27(28,29)30)36-23(32)13-8-17-4-3-5-18(14-17)31(34)35/h3-15H,2H2,1H3