dimethyl (E)-2-[2-(4-bromophenyl)-9-cyano-3-methyl-azuleno[1,2-c]pyrrol-1-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[2-(4-bromophenyl)-9-cyano-3-methyl-azuleno[1,2-c]pyrrol-1-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[2-(4-bromophenyl)-9-cyano-3-methyl-azuleno[1,2-c]pyrrol-1-yl]but-2-enedioate CAS Name: (E)-2-[2-(4-bromophenyl)-9-cyano-3-methyl-1-azuleno[1,2-c]pyrrolyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[2-(4-bromophenyl)-9-cyano-3-methylazuleno[1,2-c]pyrrol-1-yl]but-2-enedioate Traditional Name: (E)-2-[2-(4-bromophenyl)-9-cyano-3-methyl-azuleno[1,2-c]pyrrol-1-yl]but-2-enedioic acid dimethyl ester Formula: C26H19BrN2O4 MolecularWeight: 503.34406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=CC=CC=CC3=C(C2=C(N1C4=CC=C(C=C4)Br)C(=CC(=O)OC)C(=O)OC)C#N

Isomeric SMILES

CC1=C2C3=CC=CC=CC3=C(C2=C(N1C4=CC=C(C=C4)Br)/C(=C\C(=O)OC)/C(=O)OC)C#N

InChI

InChI=1S/C26H19BrN2O4/c1-15-23-19-8-6-4-5-7-18(19)21(14-28)24(23)25(20(26(31)33-3)13-22(30)32-2)29(15)17-11-9-16(27)10-12-17/h4-13H,1-3H3/b20-13+