ethyl (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-(4-nitrophenyl)-3-oxidanylidene-propanoate

Systemtic Name: ethyl (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-(4-nitrophenyl)-3-oxidanylidene-propanoate Openeye Name: ethyl (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-(4-nitrophenyl)-3-oxo-propanoate CAS Name: (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-(4-nitrophenyl)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-(4-nitrophenyl)-3-oxopropanoate Traditional Name: (2R)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-keto-3-(4-nitrophenyl)propionic acid ethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C1=NC(CC2=CC=CC=C21)(C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O5/c1-4-29-21(26)18(20(25)14-9-11-16(12-10-14)24(27)28)19-17-8-6-5-7-15(17)13-22(2,3)23-19/h5-12,18H,4,13H2,1-3H3/t18-/m1/s1