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

Systemtic Name: 7-bromanyl-4-(4-methoxyphenyl)-3-methyl-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Openeye Name: 7-bromo-4-(4-methoxyphenyl)-3-methyl-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid CAS Name: 7-bromo-4-(4-methoxyphenyl)-3-methyl-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid IUPAC Name: 7-bromo-4-(4-methoxyphenyl)-3-methyl-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Traditional Name: 7-bromo-4-(4-methoxyphenyl)-3-methyl-9-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Formula: C17H16BrN3O5 MolecularWeight: 422.23004

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N2C=C(C=C(C2=NC1C(=O)O)[N+](=O)[O-])Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1C(N2C=C(C=C(C2=NC1C(=O)O)[N+](=O)[O-])Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H16BrN3O5/c1-9-14(17(22)23)19-16-13(21(24)25)7-11(18)8-20(16)15(9)10-3-5-12(26-2)6-4-10/h3-9,14-15H,1-2H3,(H,22,23)