ethyl (E)-2-(2-chloranyl-4-fluoranyl-3-methyl-5-nitro-phenyl)carbonyl-3-(dimethylamino)prop-2-enoate

Systemtic Name: ethyl (E)-2-(2-chloranyl-4-fluoranyl-3-methyl-5-nitro-phenyl)carbonyl-3-(dimethylamino)prop-2-enoate Openeye Name: ethyl (E)-2-(2-chloro-4-fluoro-3-methyl-5-nitro-benzoyl)-3-(dimethylamino)prop-2-enoate CAS Name: (E)-2-[(2-chloro-4-fluoro-3-methyl-5-nitrophenyl)-oxomethyl]-3-(dimethylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(2-chloro-4-fluoro-3-methyl-5-nitrobenzoyl)-3-(dimethylamino)prop-2-enoate Traditional Name: (E)-2-(2-chloro-4-fluoro-3-methyl-5-nitro-benzoyl)-3-(dimethylamino)acrylic acid ethyl ester Formula: C15H16ClFN2O5 MolecularWeight: 358.749343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(C)C)C(=O)C1=CC(=C(C(=C1Cl)C)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C/N(C)C)/C(=O)C1=CC(=C(C(=C1Cl)C)F)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClFN2O5/c1-5-24-15(21)10(7-18(3)4)14(20)9-6-11(19(22)23)13(17)8(2)12(9)16/h6-7H,5H2,1-4H3/b10-7+