4-[(E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxo-prop-1-enyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(4-fluoroanilino)-3-keto-prop-1-enyl]-2-ethoxy-6-nitro-phenolate Formula: C18H13FN3O5- MolecularWeight: 370.311323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C18H14FN3O5/c1-2-27-16-9-11(8-15(17(16)23)22(25)26)7-12(10-20)18(24)21-14-5-3-13(19)4-6-14/h3-9,23H,2H2,1H3,(H,21,24)/p-1/b12-7+