(E)-3-isoquinolin-1-yl-4-(3-nitrophenyl)but-3-en-2-one

Systemtic Name: (E)-3-isoquinolin-1-yl-4-(3-nitrophenyl)but-3-en-2-one Openeye Name: (E)-3-(1-isoquinolyl)-4-(3-nitrophenyl)but-3-en-2-one CAS Name: (E)-3-(1-isoquinolinyl)-4-(3-nitrophenyl)-3-buten-2-one IUPAC Name: (E)-3-isoquinolin-1-yl-4-(3-nitrophenyl)but-3-en-2-one Traditional Name: (E)-3-(1-isoquinolyl)-4-(3-nitrophenyl)but-3-en-2-one Formula: C19H14N2O3 MolecularWeight: 318.32606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C19H14N2O3/c1-13(22)18(12-14-5-4-7-16(11-14)21(23)24)19-17-8-3-2-6-15(17)9-10-20-19/h2-12H,1H3/b18-12-