ethyl 2-[2-(3-ethoxy-3-oxidanylidene-propyl)-7-nitro-3,4-dihydro-1H-isoquinolin-1-yl]propanoate

Systemtic Name: ethyl 2-[2-(3-ethoxy-3-oxidanylidene-propyl)-7-nitro-3,4-dihydro-1H-isoquinolin-1-yl]propanoate Openeye Name: ethyl 2-[2-(3-ethoxy-3-oxo-propyl)-7-nitro-3,4-dihydro-1H-isoquinolin-1-yl]propanoate CAS Name: 2-[2-(3-ethoxy-3-oxopropyl)-7-nitro-3,4-dihydro-1H-isoquinolin-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-ethoxy-3-oxopropyl)-7-nitro-3,4-dihydro-1H-isoquinolin-1-yl]propanoate Traditional Name: 2-[2-(3-ethoxy-3-keto-propyl)-7-nitro-3,4-dihydro-1H-isoquinolin-1-yl]propionic acid ethyl ester Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCC2=C(C1C(C)C(=O)OCC)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN1CCC2=C(C1C(C)C(=O)OCC)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H26N2O6/c1-4-26-17(22)9-11-20-10-8-14-6-7-15(21(24)25)12-16(14)18(20)13(3)19(23)27-5-2/h6-7,12-13,18H,4-5,8-11H2,1-3H3