(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-nitro-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-nitro-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-nitro-2-thienyl)prop-2-en-1-one Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c19-15(7-5-14-6-8-16(22-14)18(20)21)17-10-9-12-3-1-2-4-13(12)11-17/h1-8H,9-11H2/b7-5+