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

Systemtic Name: [4-(3-ethoxy-5-oxidanylidene-2H-pyrrol-1-yl)-2,2-diethyl-6-nitro-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-(3-ethoxy-5-oxo-2H-pyrrol-1-yl)-2,2-diethyl-6-nitro-chroman-3-yl] acetate CAS Name: acetic acid [4-(3-ethoxy-5-oxo-2H-pyrrol-1-yl)-2,2-diethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-(3-ethoxy-5-oxo-2H-pyrrol-1-yl)-2,2-diethyl-6-nitro-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-(4-ethoxy-2-keto-3-pyrrolin-1-yl)-2,2-diethyl-6-nitro-chroman-3-yl] ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC(=CC3=O)OCC)OC(=O)C)CC

Isomeric SMILES

CCC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC(=CC3=O)OCC)OC(=O)C)CC

InChI

InChI=1S/C21H26N2O7/c1-5-21(6-2)20(29-13(4)24)19(22-12-15(28-7-3)11-18(22)25)16-10-14(23(26)27)8-9-17(16)30-21/h8-11,19-20H,5-7,12H2,1-4H3