2-bromanyl-6-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-bromanyl-6-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[[3-(2-methylpropanoylamino)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[[3-(isobutyrylamino)phenyl]iminomethyl]-4-nitro-phenolate Formula: C17H15BrN3O4- MolecularWeight: 405.2227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)N=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)N=CC2=CC(=CC(=C2[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O4/c1-10(2)17(23)20-13-5-3-4-12(7-13)19-9-11-6-14(21(24)25)8-15(18)16(11)22/h3-10,22H,1-2H3,(H,20,23)/p-1