[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] 4-nitrobenzoate

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] 4-nitrobenzoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-6-propyl-chromen-7-yl] ester Formula: C27H21NO8 MolecularWeight: 487.45754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21NO8/c1-2-3-18-12-20-24(14-23(18)36-27(30)16-4-7-19(8-5-16)28(31)32)35-15-21(26(20)29)17-6-9-22-25(13-17)34-11-10-33-22/h4-9,12-15H,2-3,10-11H2,1H3