(E)-2-[3,4-bis(oxidanyl)phenyl]carbonyl-3-(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)prop-2-enenitrile

Systemtic Name: (E)-2-[3,4-bis(oxidanyl)phenyl]carbonyl-3-(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)prop-2-enenitrile Openeye Name: (E)-2-(3,4-dihydroxybenzoyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-2-enenitrile CAS Name: (E)-2-[(3,4-dihydroxyphenyl)-oxomethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-propenenitrile IUPAC Name: (E)-2-(3,4-dihydroxybenzoyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-keto-3H-1,3-benzoxazol-6-yl)-2-protocatechuoyl-acrylonitrile Formula: C17H10N2O5 MolecularWeight: 322.2717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C=C(C#N)C(=O)C3=CC(=C(C=C3)O)O)OC(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1/C=C(\C#N)/C(=O)C3=CC(=C(C=C3)O)O)OC(=O)N2

InChI

InChI=1S/C17H10N2O5/c18-8-11(16(22)10-2-4-13(20)14(21)7-10)5-9-1-3-12-15(6-9)24-17(23)19-12/h1-7,20-21H,(H,19,23)/b11-5+