ethyl (2E)-2-isocyano-2-(5-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)ethanoate

Systemtic Name: ethyl (2E)-2-isocyano-2-(5-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)ethanoate Openeye Name: ethyl (2E)-2-isocyano-2-(5-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetate CAS Name: (2E)-2-isocyano-2-(5-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-isocyano-2-(5-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetate Traditional Name: (2E)-2-isocyano-2-(5-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-ylidene)acetic acid ethyl ester Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCC2=CC=CC=C2C1C3=CC=CC=C3)[N+]#[C-]

Isomeric SMILES

CCOC(=O)/C(=C\1/CCCC2=CC=CC=C2C1C3=CC=CC=C3)/[N+]#[C-]

InChI

InChI=1S/C22H21NO2/c1-3-25-22(24)21(23-2)19-15-9-13-16-10-7-8-14-18(16)20(19)17-11-5-4-6-12-17/h4-8,10-12,14,20H,3,9,13,15H2,1H3/b21-19+