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

Systemtic Name: diethyl 2-[2-(4-bromophenyl)-9-cyano-3-methyl-azuleno[1,2-c]pyrrol-1-yl]but-2-enedioate Openeye Name: diethyl 2-[2-(4-bromophenyl)-9-cyano-3-methyl-azuleno[1,2-c]pyrrol-1-yl]but-2-enedioate CAS Name: 2-[2-(4-bromophenyl)-9-cyano-3-methyl-1-azuleno[1,2-c]pyrrolyl]-2-butenedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(4-bromophenyl)-9-cyano-3-methylazuleno[1,2-c]pyrrol-1-yl]but-2-enedioate Traditional Name: 2-[2-(4-bromophenyl)-9-cyano-3-methyl-azuleno[1,2-c]pyrrol-1-yl]but-2-enedioic acid diethyl ester Formula: C28H23BrN2O4 MolecularWeight: 531.39722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C1=C2C(=C3C=CC=CC=C3C2=C(N1C4=CC=C(C=C4)Br)C)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C=C(C1=C2C(=C3C=CC=CC=C3C2=C(N1C4=CC=C(C=C4)Br)C)C#N)C(=O)OCC

InChI

InChI=1S/C28H23BrN2O4/c1-4-34-24(32)15-22(28(33)35-5-2)27-26-23(16-30)20-9-7-6-8-10-21(20)25(26)17(3)31(27)19-13-11-18(29)12-14-19/h6-15H,4-5H2,1-3H3