6-azanyl-2-(dimethylamino)-5-methylsulfonyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-2-(dimethylamino)-5-methylsulfonyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-amino-2-(dimethylamino)-5-methylsulfonyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylic acid CAS Name: 6-amino-2-(dimethylamino)-5-methylsulfonyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-amino-2-(dimethylamino)-5-methylsulfonyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amino-2-(dimethylamino)-5-mesyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylic acid Formula: C15H18N4O6S MolecularWeight: 382.39162

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=C(C(C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)N

Isomeric SMILES

CN(C)C1=NC(=C(C(C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)N

InChI

InChI=1S/C15H18N4O6S/c1-18(2)14-11(15(20)21)10(12(13(16)17-14)26(3,24)25)8-5-4-6-9(7-8)19(22)23/h4-7,10-11H,16H2,1-3H3,(H,20,21)