[(6R)-5-ethoxycarbonyl-3-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidin-4-yl]methyl-di(propan-2-yl)azanium

Systemtic Name: [(6R)-5-ethoxycarbonyl-3-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidin-4-yl]methyl-di(propan-2-yl)azanium Openeye Name: [(6R)-5-ethoxycarbonyl-3-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-4-yl]methyl-diisopropyl-ammonium CAS Name: [(6R)-5-ethoxycarbonyl-3-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-4-yl]methyl-di(propan-2-yl)ammonium IUPAC Name: [(6R)-5-ethoxycarbonyl-3-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-4-yl]methyl-di(propan-2-yl)azanium Traditional Name: [(6R)-5-carbethoxy-2-keto-3-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidin-4-yl]methyl-diisopropyl-ammonium Formula: C21H31N4O5+ MolecularWeight: 419.49464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C)C[NH+](C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC(=CC=C2)[N+](=O)[O-])C)C[NH+](C(C)C)C(C)C

InChI

InChI=1S/C21H30N4O5/c1-7-30-20(26)18-17(12-24(13(2)3)14(4)5)23(6)21(27)22-19(18)15-9-8-10-16(11-15)25(28)29/h8-11,13-14,19H,7,12H2,1-6H3,(H,22,27)/p+1/t19-/m1/s1