4-[3-(3-chloranylpropanoylamino)phenyl]-1,2-dimethyl-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[3-(3-chloranylpropanoylamino)phenyl]-1,2-dimethyl-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 4-[3-(3-chloropropanoylamino)phenyl]-1,2-dimethyl-4H-pyridine-3,5-dicarboxylic acid CAS Name: 4-[3-[(3-chloro-1-oxopropyl)amino]phenyl]-1,2-dimethyl-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-[3-(3-chloropropanoylamino)phenyl]-1,2-dimethyl-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 4-[3-(3-chloropropanoylamino)phenyl]-1,2-dimethyl-4H-pyridine-3,5-dicarboxylic acid Formula: C18H19ClN2O5 MolecularWeight: 378.80686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=CN1C)C(=O)O)C2=CC(=CC=C2)NC(=O)CCCl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=CN1C)C(=O)O)C2=CC(=CC=C2)NC(=O)CCCl)C(=O)O

InChI

InChI=1S/C18H19ClN2O5/c1-10-15(18(25)26)16(13(17(23)24)9-21(10)2)11-4-3-5-12(8-11)20-14(22)6-7-19/h3-5,8-9,16H,6-7H2,1-2H3,(H,20,22)(H,23,24)(H,25,26)