(4-aminocarbonyl-2-nitro-phenyl)methyl 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-methoxy-benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-methoxy-benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-methoxy-benzoate CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-methoxybenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate Traditional Name: 2-methoxy-5-(phthalimidomethyl)benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C25H19N3O8 MolecularWeight: 489.43366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O8/c1-35-21-9-6-14(12-27-23(30)17-4-2-3-5-18(17)24(27)31)10-19(21)25(32)36-13-16-8-7-15(22(26)29)11-20(16)28(33)34/h2-11H,12-13H2,1H3,(H2,26,29)