ethyl 7-cyano-5-nitro-2H-isoindole-1-carboxylate

Systemtic Name: ethyl 7-cyano-5-nitro-2H-isoindole-1-carboxylate Openeye Name: ethyl 7-cyano-5-nitro-2H-isoindole-1-carboxylate CAS Name: 7-cyano-5-nitro-2H-isoindole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 7-cyano-5-nitro-2H-isoindole-1-carboxylate Traditional Name: 7-cyano-5-nitro-2H-isoindole-1-carboxylic acid ethyl ester Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC(=CC2=CN1)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1=C2C(=CC(=CC2=CN1)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H9N3O4/c1-2-19-12(16)11-10-7(5-13)3-9(15(17)18)4-8(10)6-14-11/h3-4,6,14H,2H2,1H3