6-[(E)-2-(2-butoxynaphthalen-1-yl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-(2-butoxynaphthalen-1-yl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(2-butoxy-1-naphthyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(2-butoxy-1-naphthalenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(2-butoxynaphthalen-1-yl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(2-butoxy-1-naphthyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C20H18N3O5- MolecularWeight: 380.37402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=CC=CC=C2C=C1)C=CC3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C2=CC=CC=C2C=C1)/C=C/C3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-2-3-12-28-17-11-8-13-6-4-5-7-14(13)15(17)9-10-16-18(23(26)27)19(24)22-20(25)21-16/h4-11H,2-3,12H2,1H3,(H2,21,22,24,25)/p-1/b10-9+