ethyl (3E)-3-[[(4-aminocarbonyl-2-methyl-pyrazol-3-yl)amino]methylidene]-2,4-bis(oxidanylidene)pentanoate

Systemtic Name: ethyl (3E)-3-[[(4-aminocarbonyl-2-methyl-pyrazol-3-yl)amino]methylidene]-2,4-bis(oxidanylidene)pentanoate Openeye Name: ethyl (3E)-3-[[(4-carbamoyl-2-methyl-pyrazol-3-yl)amino]methylene]-2,4-dioxo-pentanoate CAS Name: (3E)-3-[[(4-carbamoyl-2-methyl-3-pyrazolyl)amino]methylidene]-2,4-dioxopentanoic acid ethyl ester IUPAC Name: ethyl (3E)-3-[[(4-carbamoyl-2-methylpyrazol-3-yl)amino]methylidene]-2,4-dioxopentanoate Traditional Name: (E)-3-acetyl-4-[(4-carbamoyl-2-methyl-pyrazol-3-yl)amino]-2-keto-but-3-enoic acid ethyl ester Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(=CNC1=C(C=NN1C)C(=O)N)C(=O)C

Isomeric SMILES

CCOC(=O)C(=O)/C(=C/NC1=C(C=NN1C)C(=O)N)/C(=O)C

InChI

InChI=1S/C13H16N4O5/c1-4-22-13(21)10(19)8(7(2)18)5-15-12-9(11(14)20)6-16-17(12)3/h5-6,15H,4H2,1-3H3,(H2,14,20)/b8-5+