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

Systemtic Name: 1-(3-nitrophenyl)ethyl 3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: 1-(3-nitrophenyl)ethyl 3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(5-methyl-1,3-dioxo-2-isoindolyl)propanoic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-5-methyl-isoindolin-2-yl)propionic acid 1-(3-nitrophenyl)ethyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6/c1-12-6-7-16-17(10-12)20(25)21(19(16)24)9-8-18(23)28-13(2)14-4-3-5-15(11-14)22(26)27/h3-7,10-11,13H,8-9H2,1-2H3