2-[10-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]anthracen-9-yl]ethanenitrile

Systemtic Name: 2-[10-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]anthracen-9-yl]ethanenitrile Openeye Name: 2-[10-[(E)-1-acetyl-2-hydroxy-prop-1-enyl]-9-anthryl]acetonitrile CAS Name: 2-[10-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]-9-anthracenyl]acetonitrile IUPAC Name: 2-[10-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]anthracen-9-yl]acetonitrile Traditional Name: 2-[10-[(E)-1-acetyl-2-hydroxy-prop-1-enyl]-9-anthryl]acetonitrile Formula: C21H17NO2 MolecularWeight: 315.36518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=C2C=CC=CC2=C(C3=CC=CC=C31)CC#N)C(=O)C)O

Isomeric SMILES

C/C(=C(/C1=C2C=CC=CC2=C(C3=CC=CC=C31)CC#N)\C(=O)C)/O

InChI

InChI=1S/C21H17NO2/c1-13(23)20(14(2)24)21-18-9-5-3-7-15(18)17(11-12-22)16-8-4-6-10-19(16)21/h3-10,23H,11H2,1-2H3/b20-13-