6-butoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]-3,4-dihydroisoquinoline

Systemtic Name: 6-butoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]-3,4-dihydroisoquinoline Openeye Name: 6-butoxy-1-[(E)-2-(4-nitrophenyl)vinyl]-3,4-dihydroisoquinoline CAS Name: 6-butoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]-3,4-dihydroisoquinoline IUPAC Name: 6-butoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]-3,4-dihydroisoquinoline Traditional Name: 6-butoxy-1-[(E)-2-(4-nitrophenyl)vinyl]-3,4-dihydroisoquinoline Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=NCC2)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=NCC2)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O3/c1-2-3-14-26-19-9-10-20-17(15-19)12-13-22-21(20)11-6-16-4-7-18(8-5-16)23(24)25/h4-11,15H,2-3,12-14H2,1H3/b11-6+