1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(3-bromoanilino)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-(3-bromoanilino)-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(3-bromoanilino)-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(3-bromoanilino)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C12H10BrN3O3 MolecularWeight: 324.1301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C12H10BrN3O3/c13-9-2-1-3-10(4-9)15-11(17)7-16-6-8(5-14-16)12(18)19/h1-6H,7H2,(H,15,17)(H,18,19)