[(4-bromophenyl)amino] 4-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate

Systemtic Name: [(4-bromophenyl)amino] 4-(5-azanyl-4-cyano-pyrazol-1-yl)benzoate Openeye Name: (4-bromoanilino) 4-(5-amino-4-cyano-pyrazol-1-yl)benzoate CAS Name: 4-(5-amino-4-cyano-1-pyrazolyl)benzoic acid (4-bromoanilino) ester IUPAC Name: (4-bromoanilino) 4-(5-amino-4-cyanopyrazol-1-yl)benzoate Traditional Name: 4-(5-amino-4-cyano-pyrazol-1-yl)benzoic acid (4-bromoanilino) ester Formula: C17H12BrN5O2 MolecularWeight: 398.21348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)ONC2=CC=C(C=C2)Br)N3C(=C(C=N3)C#N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)ONC2=CC=C(C=C2)Br)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C17H12BrN5O2/c18-13-3-5-14(6-4-13)22-25-17(24)11-1-7-15(8-2-11)23-16(20)12(9-19)10-21-23/h1-8,10,22H,20H2