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

Systemtic Name: (E)-2-(4-chloranyl-2-nitro-phenyl)carbonyl-3-(morpholin-4-ylamino)-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-2-(4-chloro-2-nitro-benzoyl)-3-hydroxy-3-(morpholinoamino)prop-2-enenitrile CAS Name: (E)-2-[(4-chloro-2-nitrophenyl)-oxomethyl]-3-hydroxy-3-(4-morpholinylamino)-2-propenenitrile IUPAC Name: (E)-2-(4-chloro-2-nitrobenzoyl)-3-hydroxy-3-(morpholin-4-ylamino)prop-2-enenitrile Traditional Name: (E)-2-(4-chloro-2-nitro-benzoyl)-3-hydroxy-3-(morpholinoamino)acrylonitrile Formula: C14H13ClN4O5 MolecularWeight: 352.72982

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC(=C(C#N)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])O

Isomeric SMILES

C1COCCN1N/C(=C(/C#N)\C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])/O

InChI

InChI=1S/C14H13ClN4O5/c15-9-1-2-10(12(7-9)19(22)23)13(20)11(8-16)14(21)17-18-3-5-24-6-4-18/h1-2,7,17,21H,3-6H2/b14-11+