[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 8-nitro-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 8-nitro-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 8-nitro-2-oxo-chromene-3-carboxylate CAS Name: 8-nitro-2-oxo-1-benzopyran-3-carboxylic acid [2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 8-nitro-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-nitro-chromene-3-carboxylic acid [2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H24N2O7 MolecularWeight: 440.44586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=CC3=C(C(=CC=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=CC3=C(C(=CC=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C23H24N2O7/c1-13(2)8-9-24-14(3)10-17(15(24)4)20(26)12-31-22(27)18-11-16-6-5-7-19(25(29)30)21(16)32-23(18)28/h5-7,10-11,13H,8-9,12H2,1-4H3