6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-quinoline; methyl hydrogen sulfate

Systemtic Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-quinoline; methyl hydrogen sulfate Openeye Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]-4H-quinoline; methyl hydrogen sulfate CAS Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-quinoline; sulfuric acid methyl ester IUPAC Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-quinoline; methyl hydrogen sulfate Traditional Name: 6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]-4H-quinoline; sulfuric acid methyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=CC2)C=CC3=CC(=CC=C3)[N+](=O)[O-])C.COS(=O)(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=CC2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C.COS(=O)(=O)O

InChI

InChI=1S/C20H20N2O3.CH4O4S/c1-3-25-19-11-12-20-16(14-19)8-10-17(21(20)2)9-7-15-5-4-6-18(13-15)22(23)24;1-5-6(2,3)4/h4-7,9-14H,3,8H2,1-2H3;1H3,(H,2,3,4)/b9-7+;