methyl 3-[3,3-dicyano-1-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-2-phenyl-prop-2-enyl]-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[3,3-dicyano-1-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-2-phenyl-prop-2-enyl]-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[3,3-dicyano-1-[4-(dicyanomethylene)cyclohexa-2,5-dien-1-ylidene]-2-phenyl-allyl]-7-isopropyl-azulene-1-carboxylate CAS Name: 3-[3,3-dicyano-1-[4-(dicyanomethylidene)-1-cyclohexa-2,5-dienylidene]-2-phenylprop-2-enyl]-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3,3-dicyano-1-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]-2-phenylprop-2-enyl]-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[3,3-dicyano-1-[4-(dicyanomethylene)cyclohexa-2,5-dien-1-ylidene]-2-phenyl-allyl]-7-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C35H24N4O2 MolecularWeight: 532.59066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)C(=C3C=CC(=C(C#N)C#N)C=C3)C(=C(C#N)C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)C(=C3C=CC(=C(C#N)C#N)C=C3)C(=C(C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C35H24N4O2/c1-22(2)26-10-7-11-29-30(16-26)32(35(40)41-3)17-31(29)34(25-14-12-23(13-15-25)27(18-36)19-37)33(28(20-38)21-39)24-8-5-4-6-9-24/h4-17,22H,1-3H3