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

Systemtic Name: dimethyl 2-[9-cyano-3-methyl-2-(4-methylphenyl)azuleno[1,2-c]pyrrol-1-yl]but-2-enedioate Openeye Name: dimethyl 2-[9-cyano-3-methyl-2-(p-tolyl)azuleno[1,2-c]pyrrol-1-yl]but-2-enedioate CAS Name: 2-[9-cyano-3-methyl-2-(4-methylphenyl)-1-azuleno[1,2-c]pyrrolyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl 2-[9-cyano-3-methyl-2-(4-methylphenyl)azuleno[1,2-c]pyrrol-1-yl]but-2-enedioate Traditional Name: 2-[9-cyano-3-methyl-2-(p-tolyl)azuleno[1,2-c]pyrrol-1-yl]but-2-enedioic acid dimethyl ester Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C4=CC=CC=CC4=C(C3=C2C(=CC(=O)OC)C(=O)OC)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C4=CC=CC=CC4=C(C3=C2C(=CC(=O)OC)C(=O)OC)C#N)C

InChI

InChI=1S/C27H22N2O4/c1-16-10-12-18(13-11-16)29-17(2)24-20-9-7-5-6-8-19(20)22(15-28)25(24)26(29)21(27(31)33-4)14-23(30)32-3/h5-14H,1-4H3