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

Systemtic Name: (E)-N-(2-chloranyl-4-nitro-phenyl)-2-cyano-3-[3-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]prop-2-enamide Openeye Name: (E)-3-[4-(2-anilino-2-oxo-ethoxy)-3-methoxy-phenyl]-N-(2-chloro-4-nitro-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-N-(2-chloro-4-nitrophenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-[4-(2-anilino-2-keto-ethoxy)-3-methoxy-phenyl]-N-(2-chloro-4-nitro-phenyl)-2-cyano-acrylamide Formula: C25H19ClN4O6 MolecularWeight: 506.89456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H19ClN4O6/c1-35-23-12-16(7-10-22(23)36-15-24(31)28-18-5-3-2-4-6-18)11-17(14-27)25(32)29-21-9-8-19(30(33)34)13-20(21)26/h2-13H,15H2,1H3,(H,28,31)(H,29,32)/b17-11+