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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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