(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-N-(4-chloranyl-2-nitro-phenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-N-(4-chloranyl-2-nitro-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-[4-(2-amino-2-oxo-ethoxy)phenyl]-N-(4-chloro-2-nitro-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(4-chloro-2-nitrophenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(4-chloro-2-nitrophenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)phenyl]-N-(4-chloro-2-nitro-phenyl)-2-cyano-acrylamide Formula: C18H13ClN4O5 MolecularWeight: 400.77262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OCC(=O)N

InChI

InChI=1S/C18H13ClN4O5/c19-13-3-6-15(16(8-13)23(26)27)22-18(25)12(9-20)7-11-1-4-14(5-2-11)28-10-17(21)24/h1-8H,10H2,(H2,21,24)(H,22,25)/b12-7+