5H-1,2-benzoxazol-4-one; (E)-4-[(2-methylimidazol-1-yl)methoxy]-4-oxidanylidene-but-2-enoate

Systemtic Name: 5H-1,2-benzoxazol-4-one; (E)-4-[(2-methylimidazol-1-yl)methoxy]-4-oxidanylidene-but-2-enoate Openeye Name: 5H-1,2-benzoxazol-4-one; (E)-4-[(2-methylimidazol-1-yl)methoxy]-4-oxo-but-2-enoate CAS Name: 5H-1,2-benzoxazol-4-one; (E)-4-[(2-methyl-1-imidazolyl)methoxy]-4-oxo-2-butenoate IUPAC Name: 5H-1,2-benzoxazol-4-one; (E)-4-[(2-methylimidazol-1-yl)methoxy]-4-oxobut-2-enoate Traditional Name: 5H-indoxazen-4-one; (E)-4-keto-4-[(2-methylimidazol-1-yl)methoxy]but-2-enoate Formula: C16H14N3O6- MolecularWeight: 344.29886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1COC(=O)C=CC(=O)[O-].C1C=CC2=C(C1=O)C=NO2

Isomeric SMILES

CC1=NC=CN1COC(=O)/C=C/C(=O)[O-].C1C=CC2=C(C1=O)C=NO2

InChI

InChI=1S/C9H10N2O4.C7H5NO2/c1-7-10-4-5-11(7)6-15-9(14)3-2-8(12)13;9-6-2-1-3-7-5(6)4-8-10-7/h2-5H,6H2,1H3,(H,12,13);1,3-4H,2H2/p-1/b3-2+;