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

Systemtic Name: ethyl 4-[1-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-3-nitro-benzoate Openeye Name: ethyl 4-[1-(1,3-dioxoisoindolin-2-yl)ethyl]-3-nitro-benzoate CAS Name: 4-[1-(1,3-dioxo-2-isoindolyl)ethyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-nitrobenzoate Traditional Name: 3-nitro-4-(1-phthalimidoethyl)benzoic acid ethyl ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(C)N2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(C)N2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6/c1-3-27-19(24)12-8-9-13(16(10-12)21(25)26)11(2)20-17(22)14-6-4-5-7-15(14)18(20)23/h4-11H,3H2,1-2H3