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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl] 4-nitrobenzoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-6-propylchromen-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-6-propyl-chromen-7-yl] ester Formula: C29H25NO8 MolecularWeight: 515.5107

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H25NO8/c1-3-5-19-14-22-25(16-24(19)38-29(32)18-6-9-21(10-7-18)30(33)34)37-17(2)27(28(22)31)20-8-11-23-26(15-20)36-13-4-12-35-23/h6-11,14-16H,3-5,12-13H2,1-2H3