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

Systemtic Name: 5-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]-5-oxopentanoic acid IUPAC Name: 5-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-5-oxopentanoic acid Traditional Name: 5-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-5-keto-valeric acid Formula: C15H16BrN3O3 MolecularWeight: 366.20984

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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)