1-(3-nitrophenyl)ethyl 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate

Systemtic Name: 1-(3-nitrophenyl)ethyl 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Openeye Name: 1-(3-nitrophenyl)ethyl 1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxylic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carboxylic acid 1-(3-nitrophenyl)ethyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

InChI

InChI=1S/C22H20N2O7/c1-13(14-4-2-5-16(10-14)24(28)29)31-22(27)15-7-8-18-19(11-15)21(26)23(20(18)25)12-17-6-3-9-30-17/h2,4-5,7-8,10-11,13,17H,3,6,9,12H2,1H3