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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-5-nitro-benzaldehyde Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-5-nitro-benzaldehyde CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-5-nitrobenzaldehyde IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-5-nitrobenzaldehyde Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-5-nitro-benzaldehyde Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C18H16N2O5/c21-11-15-9-16(20(23)24)5-6-17(15)25-12-18(22)19-8-7-13-3-1-2-4-14(13)10-19/h1-6,9,11H,7-8,10,12H2