(E)-3-(3-methoxy-4-oxidanyl-phenyl)-2-[(2-oxidanylidene-3H-1,3-benzoxazol-5-yl)carbonyl]prop-2-enenitrile

Systemtic Name: (E)-3-(3-methoxy-4-oxidanyl-phenyl)-2-[(2-oxidanylidene-3H-1,3-benzoxazol-5-yl)carbonyl]prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)-2-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-[oxo-(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)-2-(2-keto-3H-1,3-benzoxazole-5-carbonyl)acrylonitrile Formula: C18H12N2O5 MolecularWeight: 336.29828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC3=C(C=C2)OC(=O)N3)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC3=C(C=C2)OC(=O)N3)O

InChI

InChI=1S/C18H12N2O5/c1-24-16-7-10(2-4-14(16)21)6-12(9-19)17(22)11-3-5-15-13(8-11)20-18(23)25-15/h2-8,21H,1H3,(H,20,23)/b12-6+