6-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-isopentyloxy-3-methoxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(4-isoamoxy-3-methoxy-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C18H20N3O6- MolecularWeight: 374.3679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6/c1-11(2)8-9-27-14-7-5-12(10-15(14)26-3)4-6-13-16(21(24)25)17(22)20-18(23)19-13/h4-7,10-11H,8-9H2,1-3H3,(H2,19,20,22,23)/p-1/b6-4+