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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid 2-phthalimidoethyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O7/c1-12-10-13(6-7-16(12)23(28)29)18(25)21-11-17(24)30-9-8-22-19(26)14-4-2-3-5-15(14)20(22)27/h2-7,10H,8-9,11H2,1H3,(H,21,25)