tert-butyl 7-cyano-5-nitro-2H-isoindole-1-carboxylate

Systemtic Name: tert-butyl 7-cyano-5-nitro-2H-isoindole-1-carboxylate Openeye Name: tert-butyl 7-cyano-5-nitro-2H-isoindole-1-carboxylate CAS Name: 7-cyano-5-nitro-2H-isoindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-cyano-5-nitro-2H-isoindole-1-carboxylate Traditional Name: 7-cyano-5-nitro-2H-isoindole-1-carboxylic acid tert-butyl ester Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-14(2,3)21-13(18)12-11-8(6-15)4-10(17(19)20)5-9(11)7-16-12/h4-5,7,16H,1-3H3