4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-5-nitro-1H-pyrimidin-6-one

Systemtic Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-5-nitro-1H-pyrimidin-6-one Openeye Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-5-nitro-1H-pyrimidin-6-one CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-5-nitro-1H-pyrimidin-6-one Formula: C15H14N4O5 MolecularWeight: 330.29546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC3=C(C(=O)NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC3=C(C(=O)NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O5/c20-12(18-6-5-10-3-1-2-4-11(10)7-18)8-24-15-13(19(22)23)14(21)16-9-17-15/h1-4,9H,5-8H2,(H,16,17,21)