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

Systemtic Name: (E)-2-cyano-3-(2-morpholin-4-yl-5-nitro-phenyl)-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-(2-morpholino-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(4-morpholinyl)-5-nitrophenyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-(2-morpholino-5-nitro-phenyl)acrylamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])/C=C(\C#N)/C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4/c22-14-18(21(26)23-15-16-4-2-1-3-5-16)12-17-13-19(25(27)28)6-7-20(17)24-8-10-29-11-9-24/h1-7,12-13H,8-11,15H2,(H,23,26)/b18-12+