2-[(E)-2-cyano-3-oxidanylidene-3-[[(2R)-oxolan-2-yl]methylamino]prop-1-enyl]-6-methoxy-4-nitro-phenolate

Systemtic Name: 2-[(E)-2-cyano-3-oxidanylidene-3-[[(2R)-oxolan-2-yl]methylamino]prop-1-enyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[(E)-2-cyano-3-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[(E)-2-cyano-3-oxo-3-[[(2R)-2-oxolanyl]methylamino]prop-1-enyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[(E)-2-cyano-3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]prop-1-enyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(E)-2-cyano-3-keto-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]-6-methoxy-4-nitro-phenolate Formula: C16H16N3O6- MolecularWeight: 346.31474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C(C#N)C(=O)NCC2CCCO2)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C(\C#N)/C(=O)NC[C@H]2CCCO2)[O-]

InChI

InChI=1S/C16H17N3O6/c1-24-14-7-12(19(22)23)6-10(15(14)20)5-11(8-17)16(21)18-9-13-3-2-4-25-13/h5-7,13,20H,2-4,9H2,1H3,(H,18,21)/p-1/b11-5+/t13-/m1/s1