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

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

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7/c1-12(24)28-19-18(22-11-14(10-17(22)25)29-20(2,3)4)15-9-13(23(26)27)7-8-16(15)30-21(19,5)6/h7-10,18-19H,11H2,1-6H3