2-azanyl-4-[2-(4-chloranylbutylsulfanyl)phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-azanyl-4-[2-(4-chloranylbutylsulfanyl)phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-amino-4-[2-(4-chlorobutylsulfanyl)phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-amino-4-[2-(4-chlorobutylthio)phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-amino-4-[2-(4-chlorobutylsulfanyl)phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-amino-4-[2-(4-chlorobutylthio)phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC=CC=C2SCCCCCl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC=CC=C2SCCCCCl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN3O4S/c1-10-15(21(24)25)13(14(17(22)23)16(19)20-10)11-6-2-3-7-12(11)26-9-5-4-8-18/h2-3,6-7,13,20H,4-5,8-9,19H2,1H3,(H,22,23)