(E)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-3-(4-methyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-3-(4-methyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-3-(4-methyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-[5-chloro-2-(4-morpholinyl)phenyl]-2-cyano-3-(4-methyl-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-methyl-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-3-(4-methyl-3-nitro-phenyl)acrylamide Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O4/c1-14-2-3-15(11-20(14)26(28)29)10-16(13-23)21(27)24-18-12-17(22)4-5-19(18)25-6-8-30-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,24,27)/b16-10+