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

Systemtic Name: 2-azanyl-5-ethylsulfonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-amino-5-ethylsulfonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-amino-5-ethylsulfonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-amino-5-ethylsulfonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-amino-5-esyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)N)C

Isomeric SMILES

CCS(=O)(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)N)C

InChI

InChI=1S/C15H17N3O6S/c1-3-25(23,24)13-8(2)17-14(16)12(15(19)20)11(13)9-5-4-6-10(7-9)18(21)22/h4-7,11,17H,3,16H2,1-2H3,(H,19,20)