6-azanyl-2-methyl-4-(3-nitrophenyl)-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 6-azanyl-2-methyl-4-(3-nitrophenyl)-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid Openeye Name: 6-amino-2-methyl-4-(3-nitrophenyl)-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid CAS Name: 6-amino-4-mercapto-2-methyl-4-(3-nitrophenyl)-3H-pyridine-3,5-dicarboxylic acid IUPAC Name: 6-amino-2-methyl-4-(3-nitrophenyl)-4-sulfanyl-3H-pyridine-3,5-dicarboxylic acid Traditional Name: 6-amino-4-mercapto-2-methyl-4-(3-nitrophenyl)-3H-pyridine-3,5-dicarboxylic acid Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)O)(C2=CC(=CC=C2)[N+](=O)[O-])S)C(=O)O)N

Isomeric SMILES

CC1=NC(=C(C(C1C(=O)O)(C2=CC(=CC=C2)[N+](=O)[O-])S)C(=O)O)N

InChI

InChI=1S/C14H13N3O6S/c1-6-9(12(18)19)14(24,10(13(20)21)11(15)16-6)7-3-2-4-8(5-7)17(22)23/h2-5,9,24H,15H2,1H3,(H,18,19)(H,20,21)