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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-chromen-7-yl] 3-nitrobenzoate CAS Name: 3-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] 3-nitrobenzoate Traditional Name: 3-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(=CC=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(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21NO8/c1-2-4-17-12-20-24(14-23(17)36-27(30)18-5-3-6-19(11-18)28(31)32)35-15-21(26(20)29)16-7-8-22-25(13-16)34-10-9-33-22/h3,5-8,11-15H,2,4,9-10H2,1H3