2-(2-dimethylaminoethyl)-4-nitro-benzo[e]isoindole-1,3-dione

Systemtic Name: 2-(2-dimethylaminoethyl)-4-nitro-benzo[e]isoindole-1,3-dione Openeye Name: 2-(2-dimethylaminoethyl)-4-nitro-benzo[e]isoindole-1,3-dione CAS Name: 2-(2-dimethylaminoethyl)-4-nitrobenzo[e]isoindole-1,3-dione IUPAC Name: 2-(2-dimethylaminoethyl)-4-nitrobenzo[e]isoindole-1,3-dione Traditional Name: 2-(2-dimethylaminoethyl)-4-nitro-benz[e]isoindole-1,3-quinone Formula: C16H15N3O4 MolecularWeight: 313.308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=C(C1=O)C(=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN1C(=O)C2=C(C1=O)C(=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4/c1-17(2)7-8-18-15(20)13-11-6-4-3-5-10(11)9-12(19(22)23)14(13)16(18)21/h3-6,9H,7-8H2,1-2H3