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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Openeye Name: 4-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid CAS Name: 4-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid IUPAC Name: 4-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Traditional Name: 4-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6/c1-25-14-5-3-10(7-15(14)26-2)13-8-12(17(21)22)18-16-6-4-11(20(23)24)9-19(13)16/h3-7,9,12-13H,8H2,1-2H3,(H,21,22)