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

Systemtic Name: methyl 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-nitro-benzoate Openeye Name: methyl 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-nitro-benzoate CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-nitrobenzoate Traditional Name: 2-nitro-5-(phthalimidomethyl)benzoic acid methyl ester Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6/c1-25-17(22)13-8-10(6-7-14(13)19(23)24)9-18-15(20)11-4-2-3-5-12(11)16(18)21/h2-8H,9H2,1H3