[7-bromanyl-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl] hydrogen carbonate

Systemtic Name: [7-bromanyl-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl] hydrogen carbonate Openeye Name: [7-bromo-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl] hydrogen carbonate CAS Name: carbonic acid [7-bromo-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl] ester IUPAC Name: [7-bromo-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl] hydrogen carbonate Traditional Name: carbonic acid [7-bromo-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl] ester Formula: C16H14BrN3O6 MolecularWeight: 424.20286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(N=C3N2C=C(C=C3[N+](=O)[O-])Br)OC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(N=C3N2C=C(C=C3[N+](=O)[O-])Br)OC(=O)O

InChI

InChI=1S/C16H14BrN3O6/c1-25-11-4-2-9(3-5-11)12-7-14(26-16(21)22)18-15-13(20(23)24)6-10(17)8-19(12)15/h2-6,8,12,14H,7H2,1H3,(H,21,22)