N-(5-bromanylquinolin-8-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C20H14BrN5O4 MolecularWeight: 468.26026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

InChI

InChI=1S/C20H14BrN5O4/c21-14-7-8-15(19-13(14)4-3-10-22-19)23-20(27)16-9-11-25(24-16)12-30-18-6-2-1-5-17(18)26(28)29/h1-11H,12H2,(H,23,27)