N-(5-bromanylquinolin-8-yl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(5-bromo-8-quinolyl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(5-bromo-8-quinolinyl)-3-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(5-bromoquinolin-8-yl)-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(5-bromo-8-quinolyl)-3-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C16H14BrN5O4 MolecularWeight: 420.21746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3

InChI

InChI=1S/C16H14BrN5O4/c1-26-16-13(22(24)25)9-21(20-16)8-6-14(23)19-12-5-4-11(17)10-3-2-7-18-15(10)12/h2-5,7,9H,6,8H2,1H3,(H,19,23)