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

Systemtic Name: 2-bromanyl-6-[[4-(butanoylamino)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[[4-(butanoylamino)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-4-nitro-6-[[4-(1-oxobutylamino)phenyl]iminomethyl]phenolate IUPAC Name: 2-bromo-6-[[4-(butanoylamino)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[(4-butyramidophenyl)iminomethyl]-4-nitro-phenolate Formula: C17H15BrN3O4- MolecularWeight: 405.2227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O4/c1-2-3-16(22)20-13-6-4-12(5-7-13)19-10-11-8-14(21(24)25)9-15(18)17(11)23/h4-10,23H,2-3H2,1H3,(H,20,22)/p-1