ethyl 2-[4-(nitromethyl)-3-quinolin-2-yl-4H-quinolin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(nitromethyl)-3-quinolin-2-yl-4H-quinolin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(nitromethyl)-3-(2-quinolyl)-4H-quinolin-1-yl]acetate CAS Name: 2-[4-(nitromethyl)-3-(2-quinolinyl)-4H-quinolin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(nitromethyl)-3-quinolin-2-yl-4H-quinolin-1-yl]acetate Traditional Name: 2-[4-(nitromethyl)-3-(2-quinolyl)-4H-quinolin-1-yl]acetic acid ethyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C(C2=CC=CC=C21)C[N+](=O)[O-])C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)CN1C=C(C(C2=CC=CC=C21)C[N+](=O)[O-])C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21N3O4/c1-2-30-23(27)15-25-13-19(21-12-11-16-7-3-5-9-20(16)24-21)18(14-26(28)29)17-8-4-6-10-22(17)25/h3-13,18H,2,14-15H2,1H3