1,2-benzoxazole; (E)-4-oxidanylidene-4-[[1-(phenylmethyl)piperidin-4-yl]methylperoxy]but-2-enoate

Systemtic Name: 1,2-benzoxazole; (E)-4-oxidanylidene-4-[[1-(phenylmethyl)piperidin-4-yl]methylperoxy]but-2-enoate Openeye Name: 1,2-benzoxazole; (E)-4-[(1-benzyl-4-piperidyl)methylperoxy]-4-oxo-but-2-enoate CAS Name: 1,2-benzoxazole; (E)-4-oxo-4-[[1-(phenylmethyl)-4-piperidinyl]methyldioxy]-2-butenoate IUPAC Name: 1,2-benzoxazole; (E)-4-[(1-benzylpiperidin-4-yl)methylperoxy]-4-oxobut-2-enoate Traditional Name: (E)-4-[(1-benzyl-4-piperidyl)methylperoxy]-4-keto-but-2-enoate; indoxazene Formula: C24H25N2O6- MolecularWeight: 437.4651

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COOC(=O)C=CC(=O)[O-])CC2=CC=CC=C2.C1=CC=C2C(=C1)C=NO2

Isomeric SMILES

C1CN(CCC1COOC(=O)/C=C/C(=O)[O-])CC2=CC=CC=C2.C1=CC=C2C(=C1)C=NO2

InChI

InChI=1S/C17H21NO5.C7H5NO/c19-16(20)6-7-17(21)23-22-13-15-8-10-18(11-9-15)12-14-4-2-1-3-5-14;1-2-4-7-6(3-1)5-8-9-7/h1-7,15H,8-13H2,(H,19,20);1-5H/p-1/b7-6+;