2-[3-ethyl-1-(4-nitrophenyl)isoquinolin-5-yl]ethanoate

Systemtic Name: 2-[3-ethyl-1-(4-nitrophenyl)isoquinolin-5-yl]ethanoate Openeye Name: 2-[3-ethyl-1-(4-nitrophenyl)-5-isoquinolyl]acetate CAS Name: 2-[3-ethyl-1-(4-nitrophenyl)-5-isoquinolinyl]acetate IUPAC Name: 2-[3-ethyl-1-(4-nitrophenyl)isoquinolin-5-yl]acetate Traditional Name: 2-[3-ethyl-1-(4-nitrophenyl)-5-isoquinolyl]acetate Formula: C19H15N2O4- MolecularWeight: 335.3334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C=CC=C(C2=C1)CC(=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=C2C=CC=C(C2=C1)CC(=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O4/c1-2-14-11-17-13(10-18(22)23)4-3-5-16(17)19(20-14)12-6-8-15(9-7-12)21(24)25/h3-9,11H,2,10H2,1H3,(H,22,23)/p-1