2-[(E)-3-(3-nitrophenyl)prop-2-enyl]-1,3-dihydroisoindole hydrochloride

Systemtic Name: 2-[(E)-3-(3-nitrophenyl)prop-2-enyl]-1,3-dihydroisoindole hydrochloride Openeye Name: 2-[(E)-3-(3-nitrophenyl)allyl]isoindoline hydrochloride CAS Name: 2-[(E)-3-(3-nitrophenyl)prop-2-enyl]-1,3-dihydroisoindole hydrochloride IUPAC Name: 2-[(E)-3-(3-nitrophenyl)prop-2-enyl]-1,3-dihydroisoindole hydrochloride Traditional Name: 2-[(E)-3-(3-nitrophenyl)allyl]isoindoline hydrochloride Formula: C17H17ClN2O2 MolecularWeight: 316.78208

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN1CC=CC3=CC(=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1C2=CC=CC=C2CN1C/C=C/C3=CC(=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C17H16N2O2.ClH/c20-19(21)17-9-3-5-14(11-17)6-4-10-18-12-15-7-1-2-8-16(15)13-18;/h1-9,11H,10,12-13H2;1H/b6-4+;