2-azanyl-4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-6-phenyl-benzene-1,3-dicarbonitrile

Systemtic Name: 2-azanyl-4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-6-phenyl-benzene-1,3-dicarbonitrile Openeye Name: 2-amino-4-[5-(hydroxymethyl)isoxazol-3-yl]-6-phenyl-benzene-1,3-dicarbonitrile CAS Name: 2-amino-4-[5-(hydroxymethyl)-3-isoxazolyl]-6-phenylbenzene-1,3-dicarbonitrile IUPAC Name: 2-amino-4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-6-phenylbenzene-1,3-dicarbonitrile Traditional Name: 2-amino-4-(5-methylolisoxazol-3-yl)-6-phenyl-isophthalonitrile Formula: C18H12N4O2 MolecularWeight: 316.31348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=NOC(=C3)CO

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=NOC(=C3)CO

InChI

InChI=1S/C18H12N4O2/c19-8-15-13(11-4-2-1-3-5-11)7-14(16(9-20)18(15)21)17-6-12(10-23)24-22-17/h1-7,23H,10,21H2