(2E)-4,4-dimethyl-5-(6-nitro-3H-1,2-benzoxazol-2-yl)-3-oxidanylidene-2-(oxidanylmethylidene)pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-5-(6-nitro-3H-1,2-benzoxazol-2-yl)-3-oxidanylidene-2-(oxidanylmethylidene)pentanenitrile Openeye Name: (2E)-2-(hydroxymethylene)-4,4-dimethyl-5-(6-nitro-3H-1,2-benzoxazol-2-yl)-3-oxo-pentanenitrile CAS Name: (2E)-2-(hydroxymethylidene)-4,4-dimethyl-5-(6-nitro-3H-1,2-benzoxazol-2-yl)-3-oxopentanenitrile IUPAC Name: (2E)-2-(hydroxymethylidene)-4,4-dimethyl-5-(6-nitro-3H-1,2-benzoxazol-2-yl)-3-oxopentanenitrile Traditional Name: (E)-2-[2,2-dimethyl-3-(6-nitro-3H-indoxazen-2-yl)propanoyl]-3-hydroxy-acrylonitrile Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CC2=C(O1)C=C(C=C2)[N+](=O)[O-])C(=O)C(=CO)C#N

Isomeric SMILES

CC(C)(CN1CC2=C(O1)C=C(C=C2)[N+](=O)[O-])C(=O)/C(=C/O)/C#N

InChI

InChI=1S/C15H15N3O5/c1-15(2,14(20)11(6-16)8-19)9-17-7-10-3-4-12(18(21)22)5-13(10)23-17/h3-5,8,19H,7,9H2,1-2H3/b11-8+