dimethyl-[(E)-2-[(4S)-5-nitro-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]ethenyl]azanium

Systemtic Name: dimethyl-[(E)-2-[(4S)-5-nitro-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]ethenyl]azanium Openeye Name: dimethyl-[(E)-2-[(4S)-5-nitro-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]vinyl]ammonium CAS Name: dimethyl-[(E)-2-[(4S)-5-nitro-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]ethenyl]ammonium IUPAC Name: dimethyl-[(E)-2-[(4S)-5-nitro-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]ethenyl]azanium Traditional Name: [(E)-2-[(4S)-2-keto-5-nitro-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidin-6-yl]vinyl]-dimethyl-ammonium Formula: C14H16N5O5+ MolecularWeight: 334.30734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C=CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)/C=C/C1=C([C@@H](NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O5/c1-17(2)7-6-11-13(19(23)24)12(16-14(20)15-11)9-4-3-5-10(8-9)18(21)22/h3-8,12H,1-2H3,(H2,15,16,20)/p+1/b7-6+/t12-/m0/s1