2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-nitro-isoindoline-1,3-quinone Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4/c22-17-15-6-5-14(21(24)25)9-16(15)18(23)20(17)11-19-8-7-12-3-1-2-4-13(12)10-19/h1-6,9H,7-8,10-11H2