butyl (2E)-2-isocyano-2-[3-(4-methylphenyl)-4-oxidanylidene-5-phenyl-cyclohexa-2,5-dien-1-ylidene]ethanoate

Systemtic Name: butyl (2E)-2-isocyano-2-[3-(4-methylphenyl)-4-oxidanylidene-5-phenyl-cyclohexa-2,5-dien-1-ylidene]ethanoate Openeye Name: butyl (2E)-2-isocyano-2-[4-oxo-3-phenyl-5-(p-tolyl)cyclohexa-2,5-dien-1-ylidene]acetate CAS Name: (2E)-2-isocyano-2-[3-(4-methylphenyl)-4-oxo-5-phenyl-1-cyclohexa-2,5-dienylidene]acetic acid butyl ester IUPAC Name: butyl (2E)-2-isocyano-2-[3-(4-methylphenyl)-4-oxo-5-phenylcyclohexa-2,5-dien-1-ylidene]acetate Traditional Name: (2E)-2-isocyano-2-[4-keto-3-phenyl-5-(p-tolyl)cyclohexa-2,5-dien-1-ylidene]acetic acid butyl ester Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=C1C=C(C(=O)C(=C1)C2=CC=C(C=C2)C)C3=CC=CC=C3)[N+]#[C-]

Isomeric SMILES

CCCCOC(=O)/C(=C\1/C=C(C(=O)C(=C1)C2=CC=C(C=C2)C)C3=CC=CC=C3)/[N+]#[C-]

InChI

InChI=1S/C26H23NO3/c1-4-5-15-30-26(29)24(27-3)21-16-22(19-9-7-6-8-10-19)25(28)23(17-21)20-13-11-18(2)12-14-20/h6-14,16-17H,4-5,15H2,1-2H3/b24-21+