5-azanyl-2-oxidanyl-benzoic acid; dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 5-azanyl-2-oxidanyl-benzoic acid; dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 5-amino-2-hydroxy-benzoic acid; dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 5-amino-2-hydroxybenzoic acid; 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: 5-amino-2-hydroxybenzoic acid; dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 5-amino-2-hydroxy-benzoic acid; 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C24H25N3O9 MolecularWeight: 499.47

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC.C1=CC(=C(C=C1N)C(=O)O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC.C1=CC(=C(C=C1N)C(=O)O)O

InChI

InChI=1S/C17H18N2O6.C7H7NO3/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23;8-4-1-2-6(9)5(3-4)7(10)11/h5-8,15,18H,1-4H3;1-3,9H,8H2,(H,10,11)