2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O5/c23-17(20-8-7-12-3-1-2-4-13(12)10-20)11-21-18(24)15-6-5-14(22(26)27)9-16(15)19(21)25/h1-6,9H,7-8,10-11H2