11-oxidanylidene-3-propan-2-yl-6H-benzo[c][1]benzoxepine-9-carbonitrile

Systemtic Name: 11-oxidanylidene-3-propan-2-yl-6H-benzo[c][1]benzoxepine-9-carbonitrile Openeye Name: 3-isopropyl-11-oxo-6H-benzo[c][1]benzoxepine-9-carbonitrile CAS Name: 11-oxo-3-propan-2-yl-6H-benzo[c][1]benzoxepin-9-carbonitrile IUPAC Name: 11-oxo-3-propan-2-yl-6H-benzo[c][1]benzoxepine-9-carbonitrile Traditional Name: 3-isopropyl-11-keto-6H-benzo[c][1]benzoxepin-9-carbonitrile Formula: C18H15NO2 MolecularWeight: 277.3172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C(=O)C3=C(CO2)C=CC(=C3)C#N

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C(=O)C3=C(CO2)C=CC(=C3)C#N

InChI

InChI=1S/C18H15NO2/c1-11(2)13-5-6-15-17(8-13)21-10-14-4-3-12(9-19)7-16(14)18(15)20/h3-8,11H,10H2,1-2H3