dimethyl 10-cyano-4-methyl-1-[(4-methylphenyl)amino]benzo[a]azulene-2,3-dicarboxylate

Systemtic Name: dimethyl 10-cyano-4-methyl-1-[(4-methylphenyl)amino]benzo[a]azulene-2,3-dicarboxylate Openeye Name: dimethyl 10-cyano-4-methyl-1-(4-methylanilino)benzo[a]azulene-2,3-dicarboxylate CAS Name: 10-cyano-4-methyl-1-(4-methylanilino)benzo[a]azulene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 10-cyano-4-methyl-1-(4-methylanilino)benzo[a]azulene-2,3-dicarboxylate Traditional Name: 10-cyano-4-methyl-1-(p-toluidino)benz[a]azulene-2,3-dicarboxylic acid dimethyl ester Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(C3=C4C=CC=CC=C4C(=C32)C#N)C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(C3=C4C=CC=CC=C4C(=C32)C#N)C)C(=O)OC)C(=O)OC

InChI

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