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

Systemtic Name: methyl 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-nitro-4-oxidanyl-benzoate Openeye Name: methyl 3-[(1,3-dioxoisoindolin-2-yl)methyl]-4-hydroxy-5-nitro-benzoate CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl]-4-hydroxy-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxy-5-nitrobenzoate Traditional Name: 4-hydroxy-3-nitro-5-(phthalimidomethyl)benzoic acid methyl ester Formula: C17H12N2O7 MolecularWeight: 356.28638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O7/c1-26-17(23)9-6-10(14(20)13(7-9)19(24)25)8-18-15(21)11-4-2-3-5-12(11)16(18)22/h2-7,20H,8H2,1H3