4-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-4-oxo-butanoate CAS Name: 4-[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]-4-oxobutanoate IUPAC Name: 4-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-4-oxobutanoate Traditional Name: 4-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-4-keto-butyrate Formula: C14H13BrN3O3- MolecularWeight: 351.17532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)CCC(=O)[O-])Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)CCC(=O)[O-])Br

InChI

InChI=1S/C14H14BrN3O3/c1-18-8-11(15)14(17-18)9-3-2-4-10(7-9)16-12(19)5-6-13(20)21/h2-4,7-8H,5-6H2,1H3,(H,16,19)(H,20,21)/p-1