ethyl (E)-3-azanyl-2-[2,4-bis(chloranyl)-5-fluoranyl-3-nitro-phenyl]carbonyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-2-[2,4-bis(chloranyl)-5-fluoranyl-3-nitro-phenyl]carbonyl-prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-(2,4-dichloro-5-fluoro-3-nitro-benzoyl)prop-2-enoate CAS Name: (E)-3-amino-2-[(2,4-dichloro-5-fluoro-3-nitrophenyl)-oxomethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(2,4-dichloro-5-fluoro-3-nitrobenzoyl)prop-2-enoate Traditional Name: (E)-3-amino-2-(2,4-dichloro-5-fluoro-3-nitro-benzoyl)acrylic acid ethyl ester Formula: C12H9Cl2FN2O5 MolecularWeight: 351.114663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9Cl2FN2O5/c1-2-22-12(19)6(4-16)11(18)5-3-7(15)9(14)10(8(5)13)17(20)21/h3-4H,2,16H2,1H3/b6-4+