2-[4-[[(E)-(4-dimethylaminophenyl)methylideneamino]carbamoyl]-4H-pyridin-1-yl]propanedioic acid

Systemtic Name: 2-[4-[[(E)-(4-dimethylaminophenyl)methylideneamino]carbamoyl]-4H-pyridin-1-yl]propanedioic acid Openeye Name: 2-[4-[[(E)-(4-dimethylaminophenyl)methyleneamino]carbamoyl]-4H-pyridin-1-yl]propanedioic acid CAS Name: 2-[4-[[(2E)-2-[(4-dimethylaminophenyl)methylidene]hydrazinyl]-oxomethyl]-4H-pyridin-1-yl]propanedioic acid IUPAC Name: 2-[4-[[(E)-(4-dimethylaminophenyl)methylideneamino]carbamoyl]-4H-pyridin-1-yl]propanedioic acid Traditional Name: 2-[4-[[(E)-[4-(dimethylamino)benzylidene]amino]carbamoyl]-4H-pyridin-1-yl]malonic acid Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NNC(=O)C2C=CN(C=C2)C(C(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2C=CN(C=C2)C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H20N4O5/c1-21(2)14-5-3-12(4-6-14)11-19-20-16(23)13-7-9-22(10-8-13)15(17(24)25)18(26)27/h3-11,13,15H,1-2H3,(H,20,23)(H,24,25)(H,26,27)/b19-11+