5-[[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=N2)Br)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=N2)Br)NC(=O)CCCC(=O)O

InChI

InChI=1S/C15H16BrN3O3/c16-12-8-17-19(10-12)9-11-4-6-13(7-5-11)18-14(20)2-1-3-15(21)22/h4-8,10H,1-3,9H2,(H,18,20)(H,21,22)