1-(3-nitrophenyl)ethyl 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: 1-(3-nitrophenyl)ethyl 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: 1-(3-nitrophenyl)ethyl 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)butanoic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)butyric acid 1-(3-nitrophenyl)ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OC(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c1-13-8-9-17-18(11-13)21(26)22(20(17)25)10-4-7-19(24)29-14(2)15-5-3-6-16(12-15)23(27)28/h3,5-6,8-9,11-12,14H,4,7,10H2,1-2H3