2-(2-diethylaminoethyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2-diethylaminoethyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(2-diethylaminoethyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(2-diethylaminoethyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(2-diethylaminoethyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(2-diethylaminoethyl)-4-nitro-isoindoline-1,3-quinone Formula: C14H17N3O4 MolecularWeight: 291.30248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4/c1-3-15(4-2)8-9-16-13(18)10-6-5-7-11(17(20)21)12(10)14(16)19/h5-7H,3-4,8-9H2,1-2H3