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

Systemtic Name: 2-azanyl-4-[2-(4-chloranylpentoxy)phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-amino-4-[2-(4-chloropentoxy)phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-amino-4-[2-(4-chloropentoxy)phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-amino-4-[2-(4-chloropentoxy)phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-amino-4-[2-(4-chloropentoxy)phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid Formula: C18H22ClN3O5 MolecularWeight: 395.83738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC=CC=C2OCCCC(C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)O)C2=CC=CC=C2OCCCC(C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN3O5/c1-10(19)6-5-9-27-13-8-4-3-7-12(13)14-15(18(23)24)17(20)21-11(2)16(14)22(25)26/h3-4,7-8,10,14,21H,5-6,9,20H2,1-2H3,(H,23,24)