(E)-2-(4-chloranyl-2-nitro-phenyl)carbonyl-3-oxidanyl-3-(piperidin-1-ylamino)prop-2-enenitrile

Systemtic Name: (E)-2-(4-chloranyl-2-nitro-phenyl)carbonyl-3-oxidanyl-3-(piperidin-1-ylamino)prop-2-enenitrile Openeye Name: (E)-2-(4-chloro-2-nitro-benzoyl)-3-hydroxy-3-(1-piperidylamino)prop-2-enenitrile CAS Name: (E)-2-[(4-chloro-2-nitrophenyl)-oxomethyl]-3-hydroxy-3-(1-piperidinylamino)-2-propenenitrile IUPAC Name: (E)-2-(4-chloro-2-nitrobenzoyl)-3-hydroxy-3-(piperidin-1-ylamino)prop-2-enenitrile Traditional Name: (E)-2-(4-chloro-2-nitro-benzoyl)-3-hydroxy-3-(piperidinoamino)acrylonitrile Formula: C15H15ClN4O4 MolecularWeight: 350.757

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=C(C#N)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])O

Isomeric SMILES

C1CCN(CC1)N/C(=C(/C#N)\C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])/O

InChI

InChI=1S/C15H15ClN4O4/c16-10-4-5-11(13(8-10)20(23)24)14(21)12(9-17)15(22)18-19-6-2-1-3-7-19/h4-5,8,18,22H,1-3,6-7H2/b15-12+