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

Systemtic Name: methyl 3-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoate Openeye Name: methyl 3-[(4-nitro-1,3-dioxo-isoindolin-2-yl)methyl]benzoate CAS Name: 3-[(4-nitro-1,3-dioxo-2-isoindolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-nitro-1,3-dioxoisoindol-2-yl)methyl]benzoate Traditional Name: 3-[(1,3-diketo-4-nitro-isoindolin-2-yl)methyl]benzoic acid methyl ester Formula: C17H12N2O6 MolecularWeight: 340.28698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

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