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

Systemtic Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde Openeye Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-3-nitro-benzaldehyde CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-nitrobenzaldehyde IUPAC Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-nitrobenzaldehyde Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-3-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)C=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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