5-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-5-oxo-pentanoate CAS Name: 5-[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]-5-oxopentanoate IUPAC Name: 5-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-5-oxopentanoate Traditional Name: 5-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-5-keto-valerate Formula: C15H15BrN3O3- MolecularWeight: 365.2019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O3/c1-19-9-12(16)15(18-19)10-4-2-5-11(8-10)17-13(20)6-3-7-14(21)22/h2,4-5,8-9H,3,6-7H2,1H3,(H,17,20)(H,21,22)/p-1