ethyl 3-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)propanoate

Systemtic Name: ethyl 3-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)propanoate Openeye Name: ethyl 3-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)propanoate CAS Name: 3-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)propanoate Traditional Name: 3-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)propionic acid ethyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC2=C(CC1(C)C)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN1CC2=C(CC1(C)C)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-4-22-15(19)7-8-17-11-13-9-14(18(20)21)6-5-12(13)10-16(17,2)3/h5-6,9H,4,7-8,10-11H2,1-3H3