2-[(E)-2-[3-ethoxy-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(E)-2-[3-ethoxy-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-[3-ethoxy-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-[3-ethoxy-4-(2-keto-2-pyrrolidino-ethoxy)phenyl]vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C20H21N4O7- MolecularWeight: 429.40334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OCC(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OCC(=O)N3CCCC3

InChI

InChI=1S/C20H22N4O7/c1-2-30-15-11-13(5-7-14(15)31-12-17(25)23-9-3-4-10-23)6-8-16-21-19(26)18(24(28)29)20(27)22-16/h5-8,11H,2-4,9-10,12H2,1H3,(H2,21,22,26,27)/p-1/b8-6+