4-(2-chloranyl-3-nitro-phenyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-chloranyl-3-nitro-phenyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(2-chloro-3-nitro-phenyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(2-chloro-3-nitrophenyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(2-chloro-3-nitrophenyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(2-chloro-3-nitro-phenyl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Formula: C13H12ClN3O5 MolecularWeight: 325.70448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)OC)C2=C(C(=CC=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)OC)C2=C(C(=CC=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C13H12ClN3O5/c1-6-9(12(18)19)11(16-13(15-6)22-2)7-4-3-5-8(10(7)14)17(20)21/h3-5,11H,1-2H3,(H,15,16)(H,18,19)