2-azanyl-6-methyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-azanyl-6-methyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-amino-6-methyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-amino-6-methyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-amino-6-methyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-amino-5-mesyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6S/c1-7-12(24(2,22)23)10(11(14(18)19)13(15)16-7)8-4-3-5-9(6-8)17(20)21/h3-6,10,16H,15H2,1-2H3,(H,18,19)