[4-[(3E)-3-(3-oxidanylidene-2-phenyl-isoindol-1-ylidene)prop-1-ynyl]phenyl] ethanoate

Systemtic Name: [4-[(3E)-3-(3-oxidanylidene-2-phenyl-isoindol-1-ylidene)prop-1-ynyl]phenyl] ethanoate Openeye Name: [4-[(3E)-3-(3-oxo-2-phenyl-isoindolin-1-ylidene)prop-1-ynyl]phenyl] acetate CAS Name: acetic acid [4-[(3E)-3-(3-oxo-2-phenyl-1-isoindolylidene)prop-1-ynyl]phenyl] ester IUPAC Name: [4-[(3E)-3-(3-oxo-2-phenylisoindol-1-ylidene)prop-1-ynyl]phenyl] acetate Traditional Name: acetic acid [4-[(3E)-3-(3-keto-2-phenyl-isoindolin-1-ylidene)prop-1-ynyl]phenyl] ester Formula: C25H17NO3 MolecularWeight: 379.40738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C#CC=C2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C#C/C=C/2\C3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C25H17NO3/c1-18(27)29-21-16-14-19(15-17-21)8-7-13-24-22-11-5-6-12-23(22)25(28)26(24)20-9-3-2-4-10-20/h2-6,9-17H,1H3/b24-13+