4-[(E)-3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(3-chloro-4-fluoro-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(3-chloro-4-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(3-chloro-4-fluoro-anilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C17H10ClFN3O5- MolecularWeight: 390.729803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClFN3O5/c1-27-15-6-9(5-14(16(15)23)22(25)26)4-10(8-20)17(24)21-11-2-3-13(19)12(18)7-11/h2-7,23H,1H3,(H,21,24)/p-1/b10-4+