2-[3-[[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H16BrN5O4 MolecularWeight: 434.24404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)CCN3C(=CC=N3)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)CCN3C(=CC=N3)C(=O)O)Br

InChI

InChI=1S/C17H16BrN5O4/c18-12-1-3-14(4-2-12)27-11-22-10-13(9-20-22)21-16(24)6-8-23-15(17(25)26)5-7-19-23/h1-5,7,9-10H,6,8,11H2,(H,21,24)(H,25,26)