[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] 3-nitrobenzoate

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-6-propyl-chromen-7-yl] ester Formula: C28H23NO8 MolecularWeight: 501.48412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)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)OCCCO4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H23NO8/c1-2-5-18-13-21-25(15-24(18)37-28(31)19-6-3-7-20(12-19)29(32)33)36-16-22(27(21)30)17-8-9-23-26(14-17)35-11-4-10-34-23/h3,6-9,12-16H,2,4-5,10-11H2,1H3