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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O6/c1-2-25-17(22)10-4-3-5-11(8-10)18-15(20)13-7-6-12(19(23)24)9-14(13)16(18)21/h3-9H,2H2,1H3