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

Systemtic Name: diethyl 10-cyano-4-methyl-1-[(4-methylphenyl)amino]benzo[a]azulene-2,3-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C3C=CC=CC=C3C(=C2C(=C1C(=O)OCC)NC4=CC=C(C=C4)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C3C=CC=CC=C3C(=C2C(=C1C(=O)OCC)NC4=CC=C(C=C4)C)C#N)C

InChI

InChI=1S/C29H26N2O4/c1-5-34-28(32)24-18(4)23-21-11-9-7-8-10-20(21)22(16-30)25(23)27(26(24)29(33)35-6-2)31-19-14-12-17(3)13-15-19/h7-15,31H,5-6H2,1-4H3