[2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl] 3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl] 3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(4-tert-butylphenyl)-4-oxo-chromen-3-yl] 3-(3-nitrophenyl)prop-2-enoate CAS Name: 3-(3-nitrophenyl)-2-propenoic acid [2-(4-tert-butylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-4-oxochromen-3-yl] 3-(3-nitrophenyl)prop-2-enoate Traditional Name: 3-(3-nitrophenyl)acrylic acid [2-(4-tert-butylphenyl)-4-keto-chromen-3-yl] ester Formula: C28H23NO6 MolecularWeight: 469.48532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H23NO6/c1-28(2,3)20-14-12-19(13-15-20)26-27(25(31)22-9-4-5-10-23(22)34-26)35-24(30)16-11-18-7-6-8-21(17-18)29(32)33/h4-17H,1-3H3