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

Systemtic Name: methyl 4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: methyl 4-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(5-nitro-1,3-dioxo-2-isoindolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-5-nitro-isoindolin-2-yl)benzoic acid methyl ester Formula: C16H10N2O6 MolecularWeight: 326.2604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O6/c1-24-16(21)9-2-4-10(5-3-9)17-14(19)12-7-6-11(18(22)23)8-13(12)15(17)20/h2-8H,1H3