[[4,6-diethyl-5-(4-nitro-2-oxidanyl-phenyl)pyrimidin-2-yl]amino]-oxidanyl-oxidanylidene-azanium

Systemtic Name: [[4,6-diethyl-5-(4-nitro-2-oxidanyl-phenyl)pyrimidin-2-yl]amino]-oxidanyl-oxidanylidene-azanium Openeye Name: [[4,6-diethyl-5-(2-hydroxy-4-nitro-phenyl)pyrimidin-2-yl]amino]-hydroxy-oxo-ammonium CAS Name: [[4,6-diethyl-5-(2-hydroxy-4-nitrophenyl)-2-pyrimidinyl]amino]-hydroxy-oxoammonium IUPAC Name: [[4,6-diethyl-5-(2-hydroxy-4-nitrophenyl)pyrimidin-2-yl]amino]-hydroxy-oxoazanium Traditional Name: [[4,6-diethyl-5-(2-hydroxy-4-nitro-phenyl)pyrimidin-2-yl]amino]-hydroxy-keto-ammonium Formula: C14H16N5O5+ MolecularWeight: 334.30734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N[N+](=O)O)CC)C2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C(=NC(=N1)N[N+](=O)O)CC)C2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H15N5O5/c1-3-10-13(9-6-5-8(18(21)22)7-12(9)20)11(4-2)16-14(15-10)17-19(23)24/h5-7H,3-4H2,1-2H3,(H2-,15,16,17,20,23,24)/p+1