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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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