3-[5-methyl-4-[(Z)-C-methyl-N-(pyridin-3-ylcarbonylamino)carbonimidoyl]furan-2-yl]propanoic acid

Systemtic Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(pyridin-3-ylcarbonylamino)carbonimidoyl]furan-2-yl]propanoic acid Openeye Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]-2-furyl]propanoic acid CAS Name: 3-[5-methyl-4-[(1Z)-1-[[oxo(3-pyridinyl)methyl]hydrazinylidene]ethyl]-2-furanyl]propanoic acid IUPAC Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]furan-2-yl]propanoic acid Traditional Name: 3-[5-methyl-4-[(Z)-C-methyl-N-nicotinamido-carbonimidoyl]-2-furyl]propionic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)O)C(=NNC(=O)C2=CN=CC=C2)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)O)/C(=N\NC(=O)C2=CN=CC=C2)/C

InChI

InChI=1S/C16H17N3O4/c1-10(18-19-16(22)12-4-3-7-17-9-12)14-8-13(23-11(14)2)5-6-15(20)21/h3-4,7-9H,5-6H2,1-2H3,(H,19,22)(H,20,21)/b18-10-