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

Systemtic Name: ethyl (3E)-3-[[(4-aminocarbonyl-2-phenyl-pyrazol-3-yl)amino]methylidene]-2,4-bis(oxidanylidene)pentanoate Openeye Name: ethyl (3E)-3-[[(4-carbamoyl-2-phenyl-pyrazol-3-yl)amino]methylene]-2,4-dioxo-pentanoate CAS Name: (3E)-3-[[(4-carbamoyl-2-phenyl-3-pyrazolyl)amino]methylidene]-2,4-dioxopentanoic acid ethyl ester IUPAC Name: ethyl (3E)-3-[[(4-carbamoyl-2-phenylpyrazol-3-yl)amino]methylidene]-2,4-dioxopentanoate Traditional Name: (E)-3-acetyl-4-[(4-carbamoyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-but-3-enoic acid ethyl ester Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C(=CNC1=C(C=NN1C2=CC=CC=C2)C(=O)N)C(=O)C

Isomeric SMILES

CCOC(=O)C(=O)/C(=C/NC1=C(C=NN1C2=CC=CC=C2)C(=O)N)/C(=O)C

InChI

InChI=1S/C18H18N4O5/c1-3-27-18(26)15(24)13(11(2)23)9-20-17-14(16(19)25)10-21-22(17)12-7-5-4-6-8-12/h4-10,20H,3H2,1-2H3,(H2,19,25)/b13-9+