4-[5-[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-nitro-phenolate

Systemtic Name: 4-[5-[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-nitro-phenolate Openeye Name: 4-[5-[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxo-prop-1-enyl]-2-furyl]-2-nitro-phenolate CAS Name: 4-[5-[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]-2-furanyl]-2-nitrophenolate IUPAC Name: 4-[5-[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]furan-2-yl]-2-nitrophenolate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(p-anisylamino)prop-1-enyl]-2-furyl]-2-nitro-phenolate Formula: C22H16N3O6- MolecularWeight: 418.37894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H17N3O6/c1-30-17-5-2-14(3-6-17)13-24-22(27)16(12-23)10-18-7-9-21(31-18)15-4-8-20(26)19(11-15)25(28)29/h2-11,26H,13H2,1H3,(H,24,27)/p-1/b16-10+