(E)-2-(4-chloranyl-2-nitro-phenyl)carbonyl-3-oxidanyl-3-propan-2-yloxy-prop-2-enenitrile

Systemtic Name: (E)-2-(4-chloranyl-2-nitro-phenyl)carbonyl-3-oxidanyl-3-propan-2-yloxy-prop-2-enenitrile Openeye Name: (E)-2-(4-chloro-2-nitro-benzoyl)-3-hydroxy-3-isopropoxy-prop-2-enenitrile CAS Name: (E)-2-[(4-chloro-2-nitrophenyl)-oxomethyl]-3-hydroxy-3-propan-2-yloxy-2-propenenitrile IUPAC Name: (E)-2-(4-chloro-2-nitrobenzoyl)-3-hydroxy-3-propan-2-yloxyprop-2-enenitrile Traditional Name: (E)-2-(4-chloro-2-nitro-benzoyl)-3-hydroxy-3-isopropoxy-acrylonitrile Formula: C13H11ClN2O5 MolecularWeight: 310.68984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=C(C#N)C(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(C)O/C(=C(\C#N)/C(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-])/O

InChI

InChI=1S/C13H11ClN2O5/c1-7(2)21-13(18)10(6-15)12(17)9-4-3-8(14)5-11(9)16(19)20/h3-5,7,18H,1-2H3/b13-10+