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

Systemtic Name: 5-nitro-6-oxidanylidene-2-[(E)-2-[1-(phenylmethyl)indol-3-yl]ethenyl]-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(1-benzylindol-3-yl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-nitro-6-oxo-2-[(E)-2-[1-(phenylmethyl)-3-indolyl]ethenyl]-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(1-benzylindol-3-yl)vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C21H15N4O4- MolecularWeight: 387.3682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=CC4=NC(=C(C(=O)N4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C/C4=NC(=C(C(=O)N4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H16N4O4/c26-20-19(25(28)29)21(27)23-18(22-20)11-10-15-13-24(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-11,13H,12H2,(H2,22,23,26,27)/p-1/b11-10+