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

Systemtic Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(1,2-dimethyl-3-indolyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(1,2-dimethylindol-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:

CC1=C(C2=CC=CC=C2N1C)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H14N4O4/c1-9-10(11-5-3-4-6-12(11)19(9)2)7-8-13-17-15(21)14(20(23)24)16(22)18-13/h3-8H,1-2H3,(H2,17,18,21,22)/p-1/b8-7+