dimethyl (E)-2-[1-(2-methyl-1H-indol-3-yl)-5-nitro-1H-isoquinolin-2-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[1-(2-methyl-1H-indol-3-yl)-5-nitro-1H-isoquinolin-2-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[1-(2-methyl-1H-indol-3-yl)-5-nitro-1H-isoquinolin-2-yl]but-2-enedioate CAS Name: (E)-2-[1-(2-methyl-1H-indol-3-yl)-5-nitro-1H-isoquinolin-2-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[1-(2-methyl-1H-indol-3-yl)-5-nitro-1H-isoquinolin-2-yl]but-2-enedioate Traditional Name: (E)-2-[1-(2-methyl-1H-indol-3-yl)-5-nitro-1H-isoquinolin-2-yl]but-2-enedioic acid dimethyl ester Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C3C4=C(C=CN3C(=CC(=O)OC)C(=O)OC)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C3C4=C(C=CN3/C(=C/C(=O)OC)/C(=O)OC)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O6/c1-14-22(17-7-4-5-9-18(17)25-14)23-16-8-6-10-19(27(30)31)15(16)11-12-26(23)20(24(29)33-3)13-21(28)32-2/h4-13,23,25H,1-3H3/b20-13+