2-butoxyethyl 2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-butoxyethyl 2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-butoxyethyl 2-(4-nitrophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid 2-butoxyethyl ester IUPAC Name: 2-butoxyethyl 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-nitrophenyl)isoindoline-5-carboxylic acid 2-butoxyethyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-2-3-10-29-11-12-30-21(26)14-4-9-17-18(13-14)20(25)22(19(17)24)15-5-7-16(8-6-15)23(27)28/h4-9,13H,2-3,10-12H2,1H3