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

Systemtic Name: methyl 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 2-hydroxy-4-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)-2-hydroxy-benzoic acid methyl ester Formula: C16H10N2O7 MolecularWeight: 342.2598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H10N2O7/c1-25-16(22)9-6-5-8(7-12(9)19)17-14(20)10-3-2-4-11(18(23)24)13(10)15(17)21/h2-7,19H,1H3