2-[4-(nitromethyl)-3-quinolin-2-yl-4H-quinolin-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[4-(nitromethyl)-3-quinolin-2-yl-4H-quinolin-1-yl]-1-phenyl-ethanone Openeye Name: 2-[4-(nitromethyl)-3-(2-quinolyl)-4H-quinolin-1-yl]-1-phenyl-ethanone CAS Name: 2-[4-(nitromethyl)-3-(2-quinolinyl)-4H-quinolin-1-yl]-1-phenylethanone IUPAC Name: 2-[4-(nitromethyl)-3-quinolin-2-yl-4H-quinolin-1-yl]-1-phenylethanone Traditional Name: 2-[4-(nitromethyl)-3-(2-quinolyl)-4H-quinolin-1-yl]-1-phenyl-ethanone Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C=C(C(C3=CC=CC=C32)C[N+](=O)[O-])C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C=C(C(C3=CC=CC=C32)C[N+](=O)[O-])C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H21N3O3/c31-27(20-9-2-1-3-10-20)18-29-16-23(25-15-14-19-8-4-6-12-24(19)28-25)22(17-30(32)33)21-11-5-7-13-26(21)29/h1-16,22H,17-18H2