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

Systemtic Name: 2-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-6-ethoxy-4-nitro-phenolate Formula: C17H14N3O6- MolecularWeight: 356.30956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C(C#N)C(=O)NCC2=CC=CO2)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C(\C#N)/C(=O)NCC2=CC=CO2)[O-]

InChI

InChI=1S/C17H15N3O6/c1-2-25-15-8-13(20(23)24)7-11(16(15)21)6-12(9-18)17(22)19-10-14-4-3-5-26-14/h3-8,21H,2,10H2,1H3,(H,19,22)/p-1/b12-6+