dimethyl 2,2,3,3-tetracyano-1-[(E)-2-phenylethenyl]-1H-azulene-3a,4-dicarboxylate

Systemtic Name: dimethyl 2,2,3,3-tetracyano-1-[(E)-2-phenylethenyl]-1H-azulene-3a,4-dicarboxylate Openeye Name: dimethyl 2,2,3,3-tetracyano-1-[(E)-styryl]-1H-azulene-3a,4-dicarboxylate CAS Name: 2,2,3,3-tetracyano-1-[(E)-2-phenylethenyl]-1H-azulene-3a,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,2,3,3-tetracyano-1-[(E)-2-phenylethenyl]-1H-azulene-3a,4-dicarboxylate Traditional Name: 2,2,3,3-tetracyano-1-[(E)-styryl]-1H-azulene-3a,4-dicarboxylic acid dimethyl ester Formula: C26H18N4O4 MolecularWeight: 450.44552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C2C1(C(C(C2C=CC3=CC=CC=C3)(C#N)C#N)(C#N)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C2C1(C(C(C2/C=C/C3=CC=CC=C3)(C#N)C#N)(C#N)C#N)C(=O)OC

InChI

InChI=1S/C26H18N4O4/c1-33-22(31)21-11-7-6-10-20-19(13-12-18-8-4-3-5-9-18)24(14-27,15-28)25(16-29,17-30)26(20,21)23(32)34-2/h3-13,19H,1-2H3/b13-12+