2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-methyl-4-nitro-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-methyl-4-nitro-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid 2-phthalimidoethyl ester Formula: C18H14N2O6 MolecularWeight: 354.31356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6/c1-11-10-12(6-7-15(11)20(24)25)18(23)26-9-8-19-16(21)13-4-2-3-5-14(13)17(19)22/h2-7,10H,8-9H2,1H3