4-(imidazol-1-ylmethyl)-9-oxidanylidene-xanthene-1-carbonitrile

Systemtic Name: 4-(imidazol-1-ylmethyl)-9-oxidanylidene-xanthene-1-carbonitrile Openeye Name: 4-(imidazol-1-ylmethyl)-9-oxo-xanthene-1-carbonitrile CAS Name: 4-(1-imidazolylmethyl)-9-oxo-1-xanthenecarbonitrile IUPAC Name: 4-(imidazol-1-ylmethyl)-9-oxoxanthene-1-carbonitrile Traditional Name: 4-(imidazol-1-ylmethyl)-9-keto-xanthene-1-carbonitrile Formula: C18H11N3O2 MolecularWeight: 301.29884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3O2)CN4C=CN=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3O2)CN4C=CN=C4)C#N

InChI

InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)18-16(12)17(22)14-3-1-2-4-15(14)23-18/h1-8,11H,10H2