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

Systemtic Name: [2,2-diethyl-4-(3-hexoxy-5-oxidanylidene-2H-pyrrol-1-yl)-6-nitro-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [2,2-diethyl-4-(3-hexoxy-5-oxo-2H-pyrrol-1-yl)-6-nitro-chroman-3-yl] acetate CAS Name: acetic acid [2,2-diethyl-4-(3-hexoxy-5-oxo-2H-pyrrol-1-yl)-6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [2,2-diethyl-4-(3-hexoxy-5-oxo-2H-pyrrol-1-yl)-6-nitro-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [2,2-diethyl-4-(4-hexoxy-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:

CCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(CC)CC)OC(=O)C

Isomeric SMILES

CCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(CC)CC)OC(=O)C

InChI

InChI=1S/C25H34N2O7/c1-5-8-9-10-13-32-19-15-22(29)26(16-19)23-20-14-18(27(30)31)11-12-21(20)34-25(6-2,7-3)24(23)33-17(4)28/h11-12,14-15,23-24H,5-10,13,16H2,1-4H3