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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-[[(2S)-oxolan-2-yl]methylamino]prop-1-enyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-[[(2S)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-[[(2S)-2-oxolanyl]methylamino]prop-1-enyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]prop-1-enyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-[[(2S)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]-2-ethoxy-6-nitro-phenolate Formula: C17H18N3O6- MolecularWeight: 360.34132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C(=O)NCC2CCCO2

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C(=O)NC[C@@H]2CCCO2

InChI

InChI=1S/C17H19N3O6/c1-2-25-15-8-11(7-14(16(15)21)20(23)24)6-12(9-18)17(22)19-10-13-4-3-5-26-13/h6-8,13,21H,2-5,10H2,1H3,(H,19,22)/p-1/b12-6+/t13-/m0/s1