[2,2-dibutyl-4-(3-ethoxy-5-oxidanylidene-2H-pyrrol-1-yl)-6-nitro-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [2,2-dibutyl-4-(3-ethoxy-5-oxidanylidene-2H-pyrrol-1-yl)-6-nitro-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [2,2-dibutyl-4-(3-ethoxy-5-oxo-2H-pyrrol-1-yl)-6-nitro-chroman-3-yl] acetate CAS Name: acetic acid [2,2-dibutyl-4-(3-ethoxy-5-oxo-2H-pyrrol-1-yl)-6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [2,2-dibutyl-4-(3-ethoxy-5-oxo-2H-pyrrol-1-yl)-6-nitro-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [2,2-dibutyl-4-(4-ethoxy-2-keto-3-pyrrolin-1-yl)-6-nitro-chroman-3-yl] ester Formula: C25H34N2O7 MolecularWeight: 474.54666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC(=CC3=O)OCC)OC(=O)C)CCCC

Isomeric SMILES

CCCCC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC(=CC3=O)OCC)OC(=O)C)CCCC

InChI

InChI=1S/C25H34N2O7/c1-5-8-12-25(13-9-6-2)24(33-17(4)28)23(26-16-19(32-7-3)15-22(26)29)20-14-18(27(30)31)10-11-21(20)34-25/h10-11,14-15,23-24H,5-9,12-13,16H2,1-4H3