4-[(E)-2-(propylamino)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

Systemtic Name: 4-[(E)-2-(propylamino)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid Openeye Name: 4-[(E)-2-(propylamino)vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid CAS Name: 4-[(E)-2-(propylamino)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid IUPAC Name: 4-[(E)-2-(propylamino)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid Traditional Name: 4-[(E)-2-(propylamino)vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC=CC1=CC(=NC(C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCN/C=C/C1=CC(=NC(C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H16N2O4/c1-2-4-13-5-3-8-6-9(11(15)16)14-10(7-8)12(17)18/h3,5-6,10,13H,2,4,7H2,1H3,(H,15,16)(H,17,18)/b5-3+