2-azanyl-4-(2-chloranyl-5-nitro-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-azanyl-4-(2-chloranyl-5-nitro-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-amino-4-(2-chloro-5-nitro-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-amino-4-(2-chloro-5-nitro-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C14H12ClN3O6 MolecularWeight: 353.71458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3O6/c1-5-9(13(19)20)10(11(14(21)22)12(16)17-5)7-4-6(18(23)24)2-3-8(7)15/h2-4,10,17H,16H2,1H3,(H,19,20)(H,21,22)