6-butoxy-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]-3,4-dihydroisoquinoline

Systemtic Name: 6-butoxy-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]-3,4-dihydroisoquinoline Openeye Name: 6-butoxy-1-[(E)-2-(5-nitro-2-thienyl)vinyl]-3,4-dihydroisoquinoline CAS Name: 6-butoxy-1-[(E)-2-(5-nitro-2-thiophenyl)ethenyl]-3,4-dihydroisoquinoline IUPAC Name: 6-butoxy-1-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]-3,4-dihydroisoquinoline Traditional Name: 6-butoxy-1-[(E)-2-(5-nitro-2-thienyl)vinyl]-3,4-dihydroisoquinoline Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=NCC2)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=NCC2)/C=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O3S/c1-2-3-12-24-15-4-7-17-14(13-15)10-11-20-18(17)8-5-16-6-9-19(25-16)21(22)23/h4-9,13H,2-3,10-12H2,1H3/b8-5+