(7-nitroquinolin-8-yl) (2E)-2-(phenylmethylidene)butanoate

Systemtic Name: (7-nitroquinolin-8-yl) (2E)-2-(phenylmethylidene)butanoate Openeye Name: (7-nitro-8-quinolyl) (2E)-2-benzylidenebutanoate CAS Name: (2E)-2-(phenylmethylene)butanoic acid (7-nitro-8-quinolinyl) ester IUPAC Name: (7-nitroquinolin-8-yl) (2E)-2-benzylidenebutanoate Traditional Name: (E)-2-ethyl-3-phenyl-acrylic acid (7-nitro-8-quinolyl) ester Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=CC=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC/C(=C\C1=CC=CC=C1)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O4/c1-2-15(13-14-7-4-3-5-8-14)20(23)26-19-17(22(24)25)11-10-16-9-6-12-21-18(16)19/h3-13H,2H2,1H3/b15-13+