[2,2-dimethyl-6-nitro-4-(5-oxidanylidene-3-prop-2-enoxy-2H-pyrrol-1-yl)-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [2,2-dimethyl-6-nitro-4-(5-oxidanylidene-3-prop-2-enoxy-2H-pyrrol-1-yl)-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-(3-allyloxy-5-oxo-2H-pyrrol-1-yl)-2,2-dimethyl-6-nitro-chroman-3-yl] acetate CAS Name: acetic acid [2,2-dimethyl-6-nitro-4-(5-oxo-3-prop-2-enoxy-2H-pyrrol-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [2,2-dimethyl-6-nitro-4-(5-oxo-3-prop-2-enoxy-2H-pyrrol-1-yl)-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-(4-allyloxy-2-keto-3-pyrrolin-1-yl)-2,2-dimethyl-6-nitro-chroman-3-yl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC(=CC3=O)OCC=C

Isomeric SMILES

CC(=O)OC1C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC(=CC3=O)OCC=C

InChI

InChI=1S/C20H22N2O7/c1-5-8-27-14-10-17(24)21(11-14)18-15-9-13(22(25)26)6-7-16(15)29-20(3,4)19(18)28-12(2)23/h5-7,9-10,18-19H,1,8,11H2,2-4H3