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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-[[(2S)-oxolan-2-yl]methylamino]prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-[[(2S)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-[[(2S)-2-oxolanyl]methylamino]prop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]prop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-[[(2S)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]-2-nitro-phenolate Formula: C15H14N3O5- MolecularWeight: 316.28876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1C[C@H](OC1)CNC(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C15H15N3O5/c16-8-11(15(20)17-9-12-2-1-5-23-12)6-10-3-4-14(19)13(7-10)18(21)22/h3-4,6-7,12,19H,1-2,5,9H2,(H,17,20)/p-1/b11-6+/t12-/m0/s1