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

Systemtic Name: 2-[(E)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-nitro-6-oxo-2-[(E)-2-[1-(p-tolylmethyl)indol-3-yl]vinyl]-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-[1-[(4-methylphenyl)methyl]-3-indolyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 6-keto-2-[(E)-2-[1-(4-methylbenzyl)indol-3-yl]vinyl]-5-nitro-1H-pyrimidin-4-olate Formula: C22H17N4O4- MolecularWeight: 401.39478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=CC4=NC(=C(C(=O)N4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=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/C22H18N4O4/c1-14-6-8-15(9-7-14)12-25-13-16(17-4-2-3-5-18(17)25)10-11-19-23-21(27)20(26(29)30)22(28)24-19/h2-11,13H,12H2,1H3,(H2,23,24,27,28)/p-1/b11-10+