7-bromanyl-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid

Systemtic Name: 7-bromanyl-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Openeye Name: 7-bromo-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid CAS Name: 7-bromo-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid IUPAC Name: 7-bromo-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Traditional Name: 7-bromo-4-(4-methoxyphenyl)-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Formula: C16H14BrN3O5 MolecularWeight: 408.20346

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O5/c1-25-11-4-2-9(3-5-11)13-7-12(16(21)22)18-15-14(20(23)24)6-10(17)8-19(13)15/h2-6,8,12-13H,7H2,1H3,(H,21,22)