2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(7-ethyl-1H-indol-3-yl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(7-ethyl-1H-indol-3-yl)vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C16H13N4O4- MolecularWeight: 325.29882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H14N4O4/c1-2-9-4-3-5-11-10(8-17-13(9)11)6-7-12-18-15(21)14(20(23)24)16(22)19-12/h3-8,17H,2H2,1H3,(H2,18,19,21,22)/p-1/b7-6+