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

Systemtic Name: 5-nitro-6-oxidanylidene-2-[(E)-2-(1-propylindol-3-yl)ethenyl]-1H-pyrimidin-4-olate Openeye Name: 5-nitro-6-oxo-2-[(E)-2-(1-propylindol-3-yl)vinyl]-1H-pyrimidin-4-olate CAS Name: 5-nitro-6-oxo-2-[(E)-2-(1-propyl-3-indolyl)ethenyl]-1H-pyrimidin-4-olate IUPAC Name: 5-nitro-6-oxo-2-[(E)-2-(1-propylindol-3-yl)ethenyl]-1H-pyrimidin-4-olate Traditional Name: 6-keto-5-nitro-2-[(E)-2-(1-propylindol-3-yl)vinyl]-1H-pyrimidin-4-olate Formula: C17H15N4O4- MolecularWeight: 339.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H16N4O4/c1-2-9-20-10-11(12-5-3-4-6-13(12)20)7-8-14-18-16(22)15(21(24)25)17(23)19-14/h3-8,10H,2,9H2,1H3,(H2,18,19,22,23)/p-1/b8-7+